N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide

C32H37F3N10O4 — CID 59173684

IUPACN-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)cc1Nc1cc(CN2CCOCC2)nn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C32H37F3N10O4/c1-22-2-4-24(40-31(46)23-3-5-30(37-19-23)49-32(33,34)35)16-26(22)41-29-17-25(20-44-10-14-48-15-11-44)42-45(29)28-18-27(38-21-39-28)36-6-7-43-8-12-47-13-9-43/h2-5,16-19,21,41H,6-15,20H2,1H3,(H,40,46)(H,36,38,39)
InChIKeyFDLKPEWIHZMOJF-UHFFFAOYSA-N
MW682.71 g/mol
LogP3.84
Rot. Bonds12

About N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide

N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide (PubChem CID 59173684) has the molecular formula C32H37F3N10O4 and a molecular weight of 682.71 g/mol. Its IUPAC name is N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
PubChem CID59173684
Molecular FormulaC32H37F3N10O4
Molecular Weight682.71 g/mol
Exact Mass682.30
IUPAC NameN-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)cc1Nc1cc(CN2CCOCC2)nn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C32H37F3N10O4/c1-22-2-4-24(40-31(46)23-3-5-30(37-19-23)49-32(33,34)35)16-26(22)41-29-17-25(20-44-10-14-48-15-11-44)42-45(29)28-18-27(38-21-39-28)36-6-7-43-8-12-47-13-9-43/h2-5,16-19,21,41H,6-15,20H2,1H3,(H,40,46)(H,36,38,39)
InChIKeyFDLKPEWIHZMOJF-UHFFFAOYSA-N
XLogP3.84
TPSA143.82 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.71
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide (CID 59173684) is N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)cc1Nc1cc(CN2CCOCC2)nn1-c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The InChIKey is FDLKPEWIHZMOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N10O4/c1-22-2-4-24(40-31(46)23-3-5-30(37-19-23)49-32(33,34)35)16-26(22)41-29-17-25(20-44-10-14-48-15-11-44)42-45(29)28-18-27(38-21-39-28)36-6-7-43-8-12-47-13-9-43/h2-5,16-19,21,41H,6-15,20H2,1H3,(H,40,46)(H,36,38,39).
What are the key properties of N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide has a molecular weight of 682.71 g/mol, XLogP of 3.84, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-3-(morpholin-4-ylmethyl)pyrazol-5-yl]amino]phenyl]-6-(trifluoromethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 59173684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).