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

C22H19N7O — CID 58935754

IUPAC6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(C3CC3c3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H19N7O/c1-11-8-19(28-26-11)24-20-13-4-2-3-5-17(13)23-21(25-20)16-10-15(16)12-6-7-14-18(9-12)27-29-22(14)30/h2-9,15-16H,10H2,1H3,(H2,27,29,30)(H2,23,24,25,26,28)
InChIKeyKEJDSLQJGMXDRJ-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.85
Rot. Bonds4

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

6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one (PubChem CID 58935754) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one
PubChem CID58935754
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(C3CC3c3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H19N7O/c1-11-8-19(28-26-11)24-20-13-4-2-3-5-17(13)23-21(25-20)16-10-15(16)12-6-7-14-18(9-12)27-29-22(14)30/h2-9,15-16H,10H2,1H3,(H2,27,29,30)(H2,23,24,25,26,28)
InChIKeyKEJDSLQJGMXDRJ-UHFFFAOYSA-N
XLogP3.85
TPSA115.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one (CID 58935754) is 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(C3CC3c3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
The InChIKey is KEJDSLQJGMXDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-11-8-19(28-26-11)24-20-13-4-2-3-5-17(13)23-21(25-20)16-10-15(16)12-6-7-14-18(9-12)27-29-22(14)30/h2-9,15-16H,10H2,1H3,(H2,27,29,30)(H2,23,24,25,26,28).
What are the key properties of 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one?
6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one has a molecular weight of 397.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]cyclopropyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).