N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide

C28H33N7O2 — CID 167060323

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cc(N[C@@H]4CCNC4)cc(C)n3)nc3ccc(O)cc23)c1C
InChIInChI=1S/C28H33N7O2/c1-5-35-18(3)19(14-30-35)16-34(4)28(37)24-13-27(33-25-7-6-22(36)12-23(24)25)26-11-21(10-17(2)31-26)32-20-8-9-29-15-20/h6-7,10-14,20,29,36H,5,8-9,15-16H2,1-4H3,(H,31,32)/t20-/m1/s1
InChIKeyZFLHEMXZJBOKGD-HXUWFJFHSA-N
MW499.62 g/mol
LogP3.88
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide (PubChem CID 167060323) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide
PubChem CID167060323
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)c2cc(-c3cc(N[C@@H]4CCNC4)cc(C)n3)nc3ccc(O)cc23)c1C
InChIInChI=1S/C28H33N7O2/c1-5-35-18(3)19(14-30-35)16-34(4)28(37)24-13-27(33-25-7-6-22(36)12-23(24)25)26-11-21(10-17(2)31-26)32-20-8-9-29-15-20/h6-7,10-14,20,29,36H,5,8-9,15-16H2,1-4H3,(H,31,32)/t20-/m1/s1
InChIKeyZFLHEMXZJBOKGD-HXUWFJFHSA-N
XLogP3.88
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-(2,6-dimethylpyrimidin-4-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060246
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methylquinoline-4-carboxamide
CID 167060231
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[4-methyl-5-[2-(methylamino)ethoxy]-2-pyridinyl]quinoline-4-carboxamide
CID 167060128
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-[2-hydroxy-3-(methylamino)propoxy]-6-methyl-2-pyridinyl]-N-methylquinoline-4-carboxamide
CID 167060178
6-chloro-2-(2-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767125
6-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-(1-methylimidazol-4-yl)quinoline-4-carboxamide
CID 164766967
N-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 167060182
2-(4-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylquinoline-4-carboxamide
CID 164767183
2-(3-chlorophenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethylquinoline-4-carboxamide
CID 164766955
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
CID 164767408
6-hydroxy-2-(3-hydroxyphenyl)-N-methyl-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 167060216
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-[6-methyl-5-[3-(methylamino)propoxy]-2-pyridinyl]quinoline-4-carboxamide
CID 164766969

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide (CID 167060323) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3cc(N[C@@H]4CCNC4)cc(C)n3)nc3ccc(O)cc23)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide?
The InChIKey is ZFLHEMXZJBOKGD-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-5-35-18(3)19(14-30-35)16-34(4)28(37)24-13-27(33-25-7-6-22(36)12-23(24)25)26-11-21(10-17(2)31-26)32-20-8-9-29-15-20/h6-7,10-14,20,29,36H,5,8-9,15-16H2,1-4H3,(H,31,32)/t20-/m1/s1.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-[6-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]quinoline-4-carboxamide is sourced from PubChem (CID 167060323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).