N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide

C30H28N6O — CID 67075272

IUPACN-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3nc(-c4ccc(C(C)(C)C#N)cc4)c4[nH]ncc4c3c2)c1
InChIInChI=1S/C30H28N6O/c1-29(2,3)28(37)34-22-12-20(14-32-15-22)19-8-11-25-23(13-19)24-16-33-36-27(24)26(35-25)18-6-9-21(10-7-18)30(4,5)17-31/h6-16H,1-5H3,(H,33,36)(H,34,37)
InChIKeyBYHGSXNAJOMWAB-UHFFFAOYSA-N
MW488.60 g/mol
LogP6.63
Rot. Bonds4

About N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide

N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 67075272) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID67075272
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC NameN-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3nc(-c4ccc(C(C)(C)C#N)cc4)c4[nH]ncc4c3c2)c1
InChIInChI=1S/C30H28N6O/c1-29(2,3)28(37)34-22-12-20(14-32-15-22)19-8-11-25-23(13-19)24-16-33-36-27(24)26(35-25)18-6-9-21(10-7-18)30(4,5)17-31/h6-16H,1-5H3,(H,33,36)(H,34,37)
InChIKeyBYHGSXNAJOMWAB-UHFFFAOYSA-N
XLogP6.63
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate
CID 67391351
2,2-dimethyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136643278
2,2-dimethyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137019334
2,2-dimethyl-N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137214791
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136643234
N-[4-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]phenyl]ethanesulfonamide
CID 123636462
2-methyl-2-[4-[8-[3-(pyridin-4-ylamino)phenyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412414
N-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137111874
2-methyl-2-[4-[8-[3-[4-(2-oxopropyl)anilino]phenyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412351
N-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137039190
N-[5-[3-[7-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136938065
2-methyl-2-[4-[8-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412285

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide (CID 67075272) is N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cncc(-c2ccc3nc(-c4ccc(C(C)(C)C#N)cc4)c4[nH]ncc4c3c2)c1.
What is the InChIKey of N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is BYHGSXNAJOMWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-29(2,3)28(37)34-22-12-20(14-32-15-22)19-8-11-25-23(13-19)24-16-33-36-27(24)26(35-25)18-6-9-21(10-7-18)30(4,5)17-31/h6-16H,1-5H3,(H,33,36)(H,34,37).
What are the key properties of N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide?
N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 488.60 g/mol, XLogP of 6.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67075272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).