N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide

C27H28N6O3S — CID 162505016

IUPACN-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
SMILESCSc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C27H28N6O3S/c1-37-25-19(17-14-29-33(15-17)18-8-11-36-12-9-18)3-2-4-21(25)30-22-13-23(32-26(34)16-5-6-16)31-20-7-10-28-27(35)24(20)22/h2-4,7,10,13-16,18H,5-6,8-9,11-12H2,1H3,(H,28,35)(H2,30,31,32,34)
InChIKeyCRFAWDQACBXOLK-UHFFFAOYSA-N
MW516.63 g/mol
LogP4.95
Rot. Bonds7

About N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide

N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide (PubChem CID 162505016) has the molecular formula C27H28N6O3S and a molecular weight of 516.63 g/mol. Its IUPAC name is N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
PubChem CID162505016
Molecular FormulaC27H28N6O3S
Molecular Weight516.63 g/mol
Exact Mass516.19
IUPAC NameN-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
SMILESCSc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C27H28N6O3S/c1-37-25-19(17-14-29-33(15-17)18-8-11-36-12-9-18)3-2-4-21(25)30-22-13-23(32-26(34)16-5-6-16)31-20-7-10-28-27(35)24(20)22/h2-4,7,10,13-16,18H,5-6,8-9,11-12H2,1H3,(H,28,35)(H2,30,31,32,34)
InChIKeyCRFAWDQACBXOLK-UHFFFAOYSA-N
XLogP4.95
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.63
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide 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-[4-[(5-methyl-3-propan-2-yl-4H-pyrazolo[5,4-c]quinolin-6-yl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 177347622
2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide
CID 177348288
N-[4-[[8-fluoro-5-methyl-3-(oxolan-3-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 177348308
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
2-(methylamino)-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6H-1,6-naphthyridin-5-one
CID 177346822
6-(cyclopropanecarbonylamino)-4-[3-(1-cyclopropylpyrazol-4-yl)-2-methoxyanilino]pyridazine-3-carboxamide
CID 170965465
6-[[3-[6-[[2-(cyclopropanecarbonylamino)-5-oxo-6H-1,6-naphthyridin-4-yl]amino]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-N-ethylpyridine-2-carboxamide
CID 177347198
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-4-iodooxolan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridazine-3-carboxamide
CID 174202291
N-[4-[1-(1-butylsulfonylazetidin-3-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 138561207
6-(cyclopropanecarbonylamino)-4-[3-[1-[(3S)-5,8-dioxaspiro[3.4]octan-3-yl]pyrazol-4-yl]-2-methoxyanilino]pyridine-3-carboxamide
CID 170965504
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-[(7S)-4-oxaspiro[2.4]heptan-7-yl]pyrazol-4-yl]anilino]pyridazine-3-carboxamide
CID 170965525

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide (CID 162505016) is N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide is CSc1c(Nc2cc(NC(=O)C3CC3)nc3cc[nH]c(=O)c23)cccc1-c1cnn(C2CCOCC2)c1.
What is the InChIKey of N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is CRFAWDQACBXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3S/c1-37-25-19(17-14-29-33(15-17)18-8-11-36-12-9-18)3-2-4-21(25)30-22-13-23(32-26(34)16-5-6-16)31-20-7-10-28-27(35)24(20)22/h2-4,7,10,13-16,18H,5-6,8-9,11-12H2,1H3,(H,28,35)(H2,30,31,32,34).
What are the key properties of N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide?
N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 516.63 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162505016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).