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

C22H18N8O2 — CID 58935750

IUPACN-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H18N8O2/c31-21-14-9-11(5-8-16(14)27-30-21)19-24-15-4-2-1-3-13(15)20(26-19)25-18-10-17(28-29-18)22(32)23-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29)
InChIKeyDIKCOZVPHJOLAK-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.83
Rot. Bonds5

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

N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 58935750) has the molecular formula C22H18N8O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide
PubChem CID58935750
Molecular FormulaC22H18N8O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H18N8O2/c31-21-14-9-11(5-8-16(14)27-30-21)19-24-15-4-2-1-3-13(15)20(26-19)25-18-10-17(28-29-18)22(32)23-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29)
InChIKeyDIKCOZVPHJOLAK-UHFFFAOYSA-N
XLogP2.83
TPSA144.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide (CID 58935750) is N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide is O=C(NC1CC1)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is DIKCOZVPHJOLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O2/c31-21-14-9-11(5-8-16(14)27-30-21)19-24-15-4-2-1-3-13(15)20(26-19)25-18-10-17(28-29-18)22(32)23-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29).
What are the key properties of N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide?
N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58935750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).