6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide

C34H35N11O3 — CID 177346670

IUPAC6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C(=O)N2CC(n3ncc4c3[C@H](C)N(C)c3c(Nc5cc(NC(=O)C6CC6)nc6cc(C)nn56)cccc3-4)C2)n1
InChIInChI=1S/C34H35N11O3/c1-18-13-28-39-27(40-32(46)20-11-12-20)14-29(45(28)41-18)38-24-8-5-7-22-23-15-36-44(30(23)19(2)42(4)31(22)24)21-16-43(17-21)34(48)26-10-6-9-25(37-26)33(47)35-3/h5-10,13-15,19-21,38H,11-12,16-17H2,1-4H3,(H,35,47)(H,39,40,46)/t19-/m0/s1
InChIKeyUIZQLNBGZIWXTG-IBGZPJMESA-N
MW645.73 g/mol
LogP3.96
Rot. Bonds7

About 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide

6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide (PubChem CID 177346670) has the molecular formula C34H35N11O3 and a molecular weight of 645.73 g/mol. Its IUPAC name is 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide
PubChem CID177346670
Molecular FormulaC34H35N11O3
Molecular Weight645.73 g/mol
Exact Mass645.29
IUPAC Name6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc(C(=O)N2CC(n3ncc4c3[C@H](C)N(C)c3c(Nc5cc(NC(=O)C6CC6)nc6cc(C)nn56)cccc3-4)C2)n1
InChIInChI=1S/C34H35N11O3/c1-18-13-28-39-27(40-32(46)20-11-12-20)14-29(45(28)41-18)38-24-8-5-7-22-23-15-36-44(30(23)19(2)42(4)31(22)24)21-16-43(17-21)34(48)26-10-6-9-25(37-26)33(47)35-3/h5-10,13-15,19-21,38H,11-12,16-17H2,1-4H3,(H,35,47)(H,39,40,46)/t19-/m0/s1
InChIKeyUIZQLNBGZIWXTG-IBGZPJMESA-N
XLogP3.96
TPSA154.68 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.73
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

CID 177348835
CID 177348835
[6-[[3-[4,5-dimethyl-6-[[2-methyl-5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348169
6-(cyclopropanecarbonylamino)-4-[[3-[1-(6-ethylsulfonylpyridine-2-carbonyl)azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177347713
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
[6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348632
CID 177348969
CID 177348969
6-(cyclopropanecarbonylamino)-4-[[4,5-dimethyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177346880
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
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
CID 177347652
CID 177347652
6-[[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]amino]-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 177346999
6-[[(Z)-2-amino-4-methyliminobut-2-enoyl]amino]-4-[[3-[1-[dihydroxy-[6-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]azetidin-3-yl]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-N-methylpyridazine-3-carboxamide
CID 177347536

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide (CID 177346670) is 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc(C(=O)N2CC(n3ncc4c3[C@H](C)N(C)c3c(Nc5cc(NC(=O)C6CC6)nc6cc(C)nn56)cccc3-4)C2)n1.
What is the InChIKey of 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide?
The InChIKey is UIZQLNBGZIWXTG-IBGZPJMESA-N. The full InChI is InChI=1S/C34H35N11O3/c1-18-13-28-39-27(40-32(46)20-11-12-20)14-29(45(28)41-18)38-24-8-5-7-22-23-15-36-44(30(23)19(2)42(4)31(22)24)21-16-43(17-21)34(48)26-10-6-9-25(37-26)33(47)35-3/h5-10,13-15,19-21,38H,11-12,16-17H2,1-4H3,(H,35,47)(H,39,40,46)/t19-/m0/s1.
What are the key properties of 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide?
6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide has a molecular weight of 645.73 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(4S)-6-[[5-(cyclopropanecarbonylamino)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-4,5-dimethyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidine-1-carbonyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 177346670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).