[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate

C33H28N6O3 — CID 67391351

IUPAC[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate
SMILESCC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(NC(=O)C6(OC(=O)C7CC7)CC6)c5)cc4c23)cc1
InChIInChI=1S/C33H28N6O3/c1-32(2,18-34)23-8-5-19(6-9-23)29-28-25-14-21(7-10-26(25)36-17-27(28)38-39-29)22-13-24(16-35-15-22)37-31(41)33(11-12-33)42-30(40)20-3-4-20/h5-10,13-17,20H,3-4,11-12H2,1-2H3,(H,37,41)(H,38,39)
InChIKeyDHKNMLARDCVXMU-UHFFFAOYSA-N
MW556.63 g/mol
LogP6.07
Rot. Bonds7

About [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate

[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate (PubChem CID 67391351) has the molecular formula C33H28N6O3 and a molecular weight of 556.63 g/mol. Its IUPAC name is [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate
PubChem CID67391351
Molecular FormulaC33H28N6O3
Molecular Weight556.63 g/mol
Exact Mass556.22
IUPAC Name[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate
SMILESCC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(NC(=O)C6(OC(=O)C7CC7)CC6)c5)cc4c23)cc1
InChIInChI=1S/C33H28N6O3/c1-32(2,18-34)23-8-5-19(6-9-23)29-28-25-14-21(7-10-26(25)36-17-27(28)38-39-29)22-13-24(16-35-15-22)37-31(41)33(11-12-33)42-30(40)20-3-4-20/h5-10,13-17,20H,3-4,11-12H2,1-2H3,(H,37,41)(H,38,39)
InChIKeyDHKNMLARDCVXMU-UHFFFAOYSA-N
XLogP6.07
TPSA133.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412285
2-methyl-2-[4-[8-[3-(pyridin-4-ylamino)phenyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412414
2-methyl-2-[4-[8-[3-[4-(2-oxopropyl)anilino]phenyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412351
2-methyl-2-[4-[8-(6-oxo-1H-pyridin-3-yl)-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412517
2-[4-[8-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 58412416
2-methyl-2-[4-[8-[3-(pyridin-2-ylamino)phenyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 44595202
N-benzyl-5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]pyridine-2-carboxamide
CID 44594634
N-[5-[4-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[5,4-c]quinolin-8-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 67075272
4-[1-[4-(2-cyano-2-methylpropyl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]benzamide
CID 143915898
2-methyl-2-[4-[8-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 44594638
2-[4-[8-[1-(benzenesulfonyl)pyrazol-4-yl]-3H-pyrazolo[3,4-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 58412359

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate?
The IUPAC name of [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate (CID 67391351) is [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate.
What is the SMILES notation for [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate?
The canonical SMILES for [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate is CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5cncc(NC(=O)C6(OC(=O)C7CC7)CC6)c5)cc4c23)cc1.
What is the InChIKey of [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate?
The InChIKey is DHKNMLARDCVXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6O3/c1-32(2,18-34)23-8-5-19(6-9-23)29-28-25-14-21(7-10-26(25)36-17-27(28)38-39-29)22-13-24(16-35-15-22)37-31(41)33(11-12-33)42-30(40)20-3-4-20/h5-10,13-17,20H,3-4,11-12H2,1-2H3,(H,37,41)(H,38,39).
What are the key properties of [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate?
[1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate has a molecular weight of 556.63 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3H-pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]carbamoyl]cyclopropyl] cyclopropanecarboxylate is sourced from PubChem (CID 67391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).