N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C87H97F12N19O6 — CID 159654301

IUPACN-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(CN4CCOCC4)nc3)c(F)cc2N2CCN(C)CC2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2CC[C@@H](N(C)C)C2)=CN1
InChIInChI=1S/C30H34F4N6O2.C29H32F4N6O2.C28H31F4N7O2/c1-18-11-24(30(32,33)34)23(15-35-18)29(41)37-26-12-22(21-5-6-28(36-14-21)39-7-9-42-10-8-39)25(31)13-27(26)40-16-19(2)38(4)20(3)17-40;1-19-13-24(29(31,32)33)23(17-34-19)28(40)36-26-14-22(25(30)15-27(26)39-7-5-37(2)6-8-39)20-3-4-21(35-16-20)18-38-9-11-41-12-10-38;1-17-10-22(28(30,31)32)21(15-33-17)26(40)36-24-11-20(18-13-34-27(35-14-18)38-6-8-41-9-7-38)23(29)12-25(24)39-5-4-19(16-39)37(2)3/h5-6,11-15,19-20,35H,1,7-10,16-17H2,2-4H3,(H,37,41);3-4,13-17,34H,1,5-12,18H2,2H3,(H,36,40);10-15,19,33H,1,4-9,16H2,2-3H3,(H,36,40)/t19-,20+;;19-/m..1/s1
InChIKeyMRZCPZHIBMRZJY-VJVJLETHSA-N
MW1732.84 g/mol
LogP12.27
Rot. Bonds17

About N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 159654301) has the molecular formula C87H97F12N19O6 and a molecular weight of 1732.84 g/mol. Its IUPAC name is N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID159654301
Molecular FormulaC87H97F12N19O6
Molecular Weight1732.84 g/mol
Exact Mass1731.77
IUPAC NameN-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(CN4CCOCC4)nc3)c(F)cc2N2CCN(C)CC2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2CC[C@@H](N(C)C)C2)=CN1
InChIInChI=1S/C30H34F4N6O2.C29H32F4N6O2.C28H31F4N7O2/c1-18-11-24(30(32,33)34)23(15-35-18)29(41)37-26-12-22(21-5-6-28(36-14-21)39-7-9-42-10-8-39)25(31)13-27(26)40-16-19(2)38(4)20(3)17-40;1-19-13-24(29(31,32)33)23(17-34-19)28(40)36-26-14-22(25(30)15-27(26)39-7-5-37(2)6-8-39)20-3-4-21(35-16-20)18-38-9-11-41-12-10-38;1-17-10-22(28(30,31)32)21(15-33-17)26(40)36-24-11-20(18-13-34-27(35-14-18)38-6-8-41-9-7-38)23(29)12-25(24)39-5-4-19(16-39)37(2)3/h5-6,11-15,19-20,35H,1,7-10,16-17H2,2-4H3,(H,37,41);3-4,13-17,34H,1,5-12,18H2,2H3,(H,36,40);10-15,19,33H,1,4-9,16H2,2-3H3,(H,36,40)/t19-,20+;;19-/m..1/s1
InChIKeyMRZCPZHIBMRZJY-VJVJLETHSA-N
XLogP12.27
TPSA231.80 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.84
LogP ≤ 512.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138541704
US11319299, Example 660
CID 138551409
US11319299, Example 736
CID 138551454
US11319299, Example 614
CID 138551504
US11319299, Example 298
CID 138551560
US11319299, Example 608
CID 138551592
US10927111, Example 38
CID 155253635
US11319299, Example 7
CID 164607808
US11319299, Example Table6.8
CID 164607809
US11319299, Example 21
CID 164607823
US11319299, Example 32
CID 164607833
US11319299, Example 34
CID 164607835

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 159654301) is N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(CN4CCOCC4)nc3)c(F)cc2N2CCN(C)CC2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3ccc(N4CCOCC4)nc3)c(F)cc2N2C[C@@H](C)N(C)[C@@H](C)C2)=CN1.C=C1C=C(C(F)(F)F)C(C(=O)Nc2cc(-c3cnc(N4CCOCC4)nc3)c(F)cc2N2CC[C@@H](N(C)C)C2)=CN1.
What is the InChIKey of N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MRZCPZHIBMRZJY-VJVJLETHSA-N. The full InChI is InChI=1S/C30H34F4N6O2.C29H32F4N6O2.C28H31F4N7O2/c1-18-11-24(30(32,33)34)23(15-35-18)29(41)37-26-12-22(21-5-6-28(36-14-21)39-7-9-42-10-8-39)25(31)13-27(26)40-16-19(2)38(4)20(3)17-40;1-19-13-24(29(31,32)33)23(17-34-19)28(40)36-26-14-22(25(30)15-27(26)39-7-5-37(2)6-8-39)20-3-4-21(35-16-20)18-38-9-11-41-12-10-38;1-17-10-22(28(30,31)32)21(15-33-17)26(40)36-24-11-20(18-13-34-27(35-14-18)38-6-8-41-9-7-38)23(29)12-25(24)39-5-4-19(16-39)37(2)3/h5-6,11-15,19-20,35H,1,7-10,16-17H2,2-4H3,(H,37,41);3-4,13-17,34H,1,5-12,18H2,2H3,(H,36,40);10-15,19,33H,1,4-9,16H2,2-3H3,(H,36,40)/t19-,20+;;19-/m..1/s1.
What are the key properties of N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 1732.84 g/mol, XLogP of 12.27, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-fluoro-5-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-2-(4-methylpiperazin-1-yl)-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 159654301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).