6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

C22H20N8O — CID 57498034

IUPAC6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cccc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(Nc3cc(C4CC4)[nH]n3)c12
InChIInChI=1S/C22H20N8O/c1-11-3-2-4-15-19(11)20(25-18-10-16(27-29-18)12-5-6-12)26-22(24-15)23-13-7-8-14-17(9-13)28-30-21(14)31/h2-4,7-10,12H,5-6H2,1H3,(H2,28,30,31)(H3,23,24,25,26,27,29)
InChIKeyNGQXWFKIUWLLJM-UHFFFAOYSA-N
MW412.46 g/mol
LogP4.20
Rot. Bonds5

About 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 57498034) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID57498034
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cccc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(Nc3cc(C4CC4)[nH]n3)c12
InChIInChI=1S/C22H20N8O/c1-11-3-2-4-15-19(11)20(25-18-10-16(27-29-18)12-5-6-12)26-22(24-15)23-13-7-8-14-17(9-13)28-30-21(14)31/h2-4,7-10,12H,5-6H2,1H3,(H2,28,30,31)(H3,23,24,25,26,27,29)
InChIKeyNGQXWFKIUWLLJM-UHFFFAOYSA-N
XLogP4.20
TPSA127.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 57498034) is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is Cc1cccc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc(Nc3cc(C4CC4)[nH]n3)c12.
What is the InChIKey of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is NGQXWFKIUWLLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-11-3-2-4-15-19(11)20(25-18-10-16(27-29-18)12-5-6-12)26-22(24-15)23-13-7-8-14-17(9-13)28-30-21(14)31/h2-4,7-10,12H,5-6H2,1H3,(H2,28,30,31)(H3,23,24,25,26,27,29).
What are the key properties of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 412.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylquinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 57498034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).