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

C37H40N10O3 — CID 177347198

IUPAC6-[[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
SMILESCCNC(=O)c1cccc(CN2CC(n3ncc4c3C(CC)N(C)c3c(Nc5cc(NC(=O)C6CC6)nc6cc[nH]c(=O)c56)cccc3-4)C2)n1
InChIInChI=1S/C37H40N10O3/c1-4-30-34-25(17-40-47(34)23-19-46(20-23)18-22-8-6-11-28(41-22)36(49)38-5-2)24-9-7-10-27(33(24)45(30)3)42-29-16-31(44-35(48)21-12-13-21)43-26-14-15-39-37(50)32(26)29/h6-11,14-17,21,23,30H,4-5,12-13,18-20H2,1-3H3,(H,38,49)(H,39,50)(H2,42,43,44,48)
InChIKeyBPSMHPMEJPBCPG-UHFFFAOYSA-N
MW672.79 g/mol
LogP4.98
Rot. Bonds10

About 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

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 (PubChem CID 177347198) has the molecular formula C37H40N10O3 and a molecular weight of 672.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID177347198
Molecular FormulaC37H40N10O3
Molecular Weight672.79 g/mol
Exact Mass672.33
IUPAC Name6-[[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
SMILESCCNC(=O)c1cccc(CN2CC(n3ncc4c3C(CC)N(C)c3c(Nc5cc(NC(=O)C6CC6)nc6cc[nH]c(=O)c56)cccc3-4)C2)n1
InChIInChI=1S/C37H40N10O3/c1-4-30-34-25(17-40-47(34)23-19-46(20-23)18-22-8-6-11-28(41-22)36(49)38-5-2)24-9-7-10-27(33(24)45(30)3)42-29-16-31(44-35(48)21-12-13-21)43-26-14-15-39-37(50)32(26)29/h6-11,14-17,21,23,30H,4-5,12-13,18-20H2,1-3H3,(H,38,49)(H,39,50)(H2,42,43,44,48)
InChIKeyBPSMHPMEJPBCPG-UHFFFAOYSA-N
XLogP4.98
TPSA153.17 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.79
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4R)-4-ethyl-3-[1-[[6-(3-fluoroazetidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177346723
4-[[(4R)-3-[1-[[6-(3-azabicyclo[3.1.0]hexane-3-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 177346837
4-[[(4S)-3-[1-[[6-[(1R,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-pyridinyl]methyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-6-(cyclopropanecarbonylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 177347525
6-(cyclopropanecarbonylamino)-4-[[(4S)-4-ethyl-5-methyl-3-[1-[[6-[(4R)-2-oxa-5-azabicyclo[2.2.0]hexane-5-carbonyl]-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177348148
6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[3-[1-[[6-(dimethylcarbamoyl)-2-pyridinyl]methyl]piperidin-4-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177346860
6-(cyclopropanecarbonylamino)-4-[[4,5-dimethyl-3-[1-[[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177346697
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
6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[(4S)-3-[1-[6-(dimethylcarbamoyl)pyridine-2-carbonyl]azetidin-3-yl]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177346960
6-(cyclopropanecarbonylamino)-N-cyclopropyl-4-[[4-ethyl-5-methyl-3-[1-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]pyridazine-3-carboxamide
CID 177347117
[6-[[3-[6-[[(1E,3Z)-1,4-diamino-1,4-dicyclopropylbuta-1,3-dien-2-yl]amino]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-(3-methoxyazetidin-1-yl)methanone;formamide
CID 177347589
CID 177347574
CID 177347574
N-[(1E,3E)-1,4-diamino-5-(cyclopropylamino)-3-[[(4R)-4-ethyl-5-methyl-3-[1-[[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxopenta-1,3-dienyl]cyclopropanecarboxamide
CID 177348946

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)c1cccc(CN2CC(n3ncc4c3C(CC)N(C)c3c(Nc5cc(NC(=O)C6CC6)nc6cc[nH]c(=O)c56)cccc3-4)C2)n1.
What is the InChIKey of 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?
The InChIKey is BPSMHPMEJPBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N10O3/c1-4-30-34-25(17-40-47(34)23-19-46(20-23)18-22-8-6-11-28(41-22)36(49)38-5-2)24-9-7-10-27(33(24)45(30)3)42-29-16-31(44-35(48)21-12-13-21)43-26-14-15-39-37(50)32(26)29/h6-11,14-17,21,23,30H,4-5,12-13,18-20H2,1-3H3,(H,38,49)(H,39,50)(H2,42,43,44,48).
What are the key properties of 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?
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 has a molecular weight of 672.79 g/mol, XLogP of 4.98, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177347198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).