N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide

C25H24N8O2 — CID 58935751

IUPACN-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H24N8O2/c34-24-17-12-14(10-11-19(17)30-33-24)22-27-18-9-5-4-8-16(18)23(29-22)28-21-13-20(31-32-21)25(35)26-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,26,35)(H2,30,33,34)(H2,27,28,29,31,32)
InChIKeyKCDPZQRWXVQPQC-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.00
Rot. Bonds5

About N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide

N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 58935751) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide
PubChem CID58935751
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H24N8O2/c34-24-17-12-14(10-11-19(17)30-33-24)22-27-18-9-5-4-8-16(18)23(29-22)28-21-13-20(31-32-21)25(35)26-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,26,35)(H2,30,33,34)(H2,27,28,29,31,32)
InChIKeyKCDPZQRWXVQPQC-UHFFFAOYSA-N
XLogP4.00
TPSA144.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide (CID 58935751) is N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is KCDPZQRWXVQPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c34-24-17-12-14(10-11-19(17)30-33-24)22-27-18-9-5-4-8-16(18)23(29-22)28-21-13-20(31-32-21)25(35)26-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,26,35)(H2,30,33,34)(H2,27,28,29,31,32).
What are the key properties of N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58935751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).