5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one

C24H23N9O2 — CID 58936215

IUPAC5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
SMILESCN1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C24H23N9O2/c1-32-8-10-33(11-9-32)24(35)19-13-20(30-29-19)26-22-15-4-2-3-5-17(15)25-21(27-22)14-6-7-18-16(12-14)23(34)31-28-18/h2-7,12-13H,8-11H2,1H3,(H2,28,31,34)(H2,25,26,27,29,30)
InChIKeyURIKWHXWLLSMNH-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.32
Rot. Bonds4

About 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one

5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one (PubChem CID 58936215) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
PubChem CID58936215
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
SMILESCN1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)CC1
InChIInChI=1S/C24H23N9O2/c1-32-8-10-33(11-9-32)24(35)19-13-20(30-29-19)26-22-15-4-2-3-5-17(15)25-21(27-22)14-6-7-18-16(12-14)23(34)31-28-18/h2-7,12-13H,8-11H2,1H3,(H2,28,31,34)(H2,25,26,27,29,30)
InChIKeyURIKWHXWLLSMNH-UHFFFAOYSA-N
XLogP2.32
TPSA138.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one (CID 58936215) is 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one is CN1CCN(C(=O)c2cc(Nc3nc(-c4ccc5[nH][nH]c(=O)c5c4)nc4ccccc34)n[nH]2)CC1.
What is the InChIKey of 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
The InChIKey is URIKWHXWLLSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2/c1-32-8-10-33(11-9-32)24(35)19-13-20(30-29-19)26-22-15-4-2-3-5-17(15)25-21(27-22)14-6-7-18-16(12-14)23(34)31-28-18/h2-7,12-13H,8-11H2,1H3,(H2,28,31,34)(H2,25,26,27,29,30).
What are the key properties of 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one has a molecular weight of 469.51 g/mol, XLogP of 2.32, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).