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

C27H26FN7O3 — CID 177348308

IUPACN-[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
SMILESCN1Cc2c(cnn2C2CCOC2)-c2cc(F)cc(Nc3cc(NC(=O)C4CC4)nc4cc[nH]c(=O)c34)c21
InChIInChI=1S/C27H26FN7O3/c1-34-12-22-18(11-30-35(22)16-5-7-38-13-16)17-8-15(28)9-21(25(17)34)31-20-10-23(33-26(36)14-2-3-14)32-19-4-6-29-27(37)24(19)20/h4,6,8-11,14,16H,2-3,5,7,12-13H2,1H3,(H,29,37)(H2,31,32,33,36)
InChIKeyZLPVWNFCXWVDNE-UHFFFAOYSA-N
MW515.55 g/mol
LogP3.93
Rot. Bonds5

About 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

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 (PubChem CID 177348308) has the molecular formula C27H26FN7O3 and a molecular weight of 515.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID177348308
Molecular FormulaC27H26FN7O3
Molecular Weight515.55 g/mol
Exact Mass515.21
IUPAC NameN-[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
SMILESCN1Cc2c(cnn2C2CCOC2)-c2cc(F)cc(Nc3cc(NC(=O)C4CC4)nc4cc[nH]c(=O)c34)c21
InChIInChI=1S/C27H26FN7O3/c1-34-12-22-18(11-30-35(22)16-5-7-38-13-16)17-8-15(28)9-21(25(17)34)31-20-10-23(33-26(36)14-2-3-14)32-19-4-6-29-27(37)24(19)20/h4,6,8-11,14,16H,2-3,5,7,12-13H2,1H3,(H,29,37)(H2,31,32,33,36)
InChIKeyZLPVWNFCXWVDNE-UHFFFAOYSA-N
XLogP3.93
TPSA117.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.55
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[4-[2-methylsulfanyl-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 162505016
tert-butyl 4-[6-[(2-chloro-5-oxo-6H-1,6-naphthyridin-4-yl)amino]-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]piperidine-1-carboxylate
CID 177347908
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
CID 177347020
CID 177347020
N-[4-[4-[[5-[(3aR)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]cyclohexanecarboxamide
CID 175872387
6-chloro-N-methyl-4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177347980
6-(cyclopropanecarbonylamino)-4-[[3-[1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177348655
6-(cyclopropanecarbonylamino)-N-methyl-4-[[5-methyl-3-[1-[6-(pyrrolidine-1-carbonyl)pyridine-2-carbonyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177347854
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1Cc2c(cnn2C2CCOC2)-c2cc(F)cc(Nc3cc(NC(=O)C4CC4)nc4cc[nH]c(=O)c34)c21.
What is the InChIKey of 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?
The InChIKey is ZLPVWNFCXWVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3/c1-34-12-22-18(11-30-35(22)16-5-7-38-13-16)17-8-15(28)9-21(25(17)34)31-20-10-23(33-26(36)14-2-3-14)32-19-4-6-29-27(37)24(19)20/h4,6,8-11,14,16H,2-3,5,7,12-13H2,1H3,(H,29,37)(H2,31,32,33,36).
What are the key properties of 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?
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 has a molecular weight of 515.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177348308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).