(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide

C81H108F6N18O6 — CID 162025467

IUPAC(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(NC4CCC(F)(F)C4)n3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N[C@@H]4CCC(F)(F)C4)n3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N[C@H]4CCC(F)(F)C4)n3)c2)C1
InChIInChI=1S/3C27H36F2N6O2/c3*1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(34-10-12-37-13-11-34)33-25(32-23)30-21-6-8-27(28,29)16-21/h3*4-5,14-15,19,21H,3,6-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33)/t19-,21?;19-,21+;19-,21-/m111/s1
InChIKeyYVHUZHCYKWCBNO-NUVDUFNTSA-N
MW1543.86 g/mol
LogP15.46
Rot. Bonds18

About (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide

(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide (PubChem CID 162025467) has the molecular formula C81H108F6N18O6 and a molecular weight of 1543.86 g/mol. Its IUPAC name is (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
PubChem CID162025467
Molecular FormulaC81H108F6N18O6
Molecular Weight1543.86 g/mol
Exact Mass1542.86
IUPAC Name(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(NC4CCC(F)(F)C4)n3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N[C@@H]4CCC(F)(F)C4)n3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N[C@H]4CCC(F)(F)C4)n3)c2)C1
InChIInChI=1S/3C27H36F2N6O2/c3*1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(34-10-12-37-13-11-34)33-25(32-23)30-21-6-8-27(28,29)16-21/h3*4-5,14-15,19,21H,3,6-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33)/t19-,21?;19-,21+;19-,21-/m111/s1
InChIKeyYVHUZHCYKWCBNO-NUVDUFNTSA-N
XLogP15.46
TPSA247.86 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001543.86
LogP ≤ 515.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[3-[2-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 159491474
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 164970643
(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164983361
(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propanoyl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 165029548
(3R)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 167540727
tert-butyl N-[(3S)-1-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 157299416
N-[3-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709641
(2S)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;4-(4,6-dichloropyrimidin-2-yl)morpholine;(3R)-3-ethyl-N-[3-[6-[[(2S)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 159675614
(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764852
(3S)-N-[3-[2-[(3R)-3-hydroxybutyl]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764901
(3S)-N-[3-[2-(hydroxymethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764742
(3S)-N-[3-[2-(3-hydroxy-3-methylcyclobutyl)oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160924

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide (CID 162025467) is (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(NC4CCC(F)(F)C4)n3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N[C@@H]4CCC(F)(F)C4)n3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(N[C@H]4CCC(F)(F)C4)n3)c2)C1.
What is the InChIKey of (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide?
The InChIKey is YVHUZHCYKWCBNO-NUVDUFNTSA-N. The full InChI is InChI=1S/3C27H36F2N6O2/c3*1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(34-10-12-37-13-11-34)33-25(32-23)30-21-6-8-27(28,29)16-21/h3*4-5,14-15,19,21H,3,6-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33)/t19-,21?;19-,21+;19-,21-/m111/s1.
What are the key properties of (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide?
(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide has a molecular weight of 1543.86 g/mol, XLogP of 15.46, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 162025467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).