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

C23H21N7O2 — CID 58936121

IUPAC6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(COCc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12
InChIInChI=1S/C23H21N7O2/c31-23-16-8-5-13(9-19(16)28-30-23)11-32-12-21-24-17-4-2-1-3-15(17)22(26-21)25-20-10-18(27-29-20)14-6-7-14/h1-5,8-10,14H,6-7,11-12H2,(H2,28,30,31)(H2,24,25,26,27,29)
InChIKeyGWRGFPPGPCDGAQ-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.86
Rot. Bonds7

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

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one (PubChem CID 58936121) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one
PubChem CID58936121
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(COCc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12
InChIInChI=1S/C23H21N7O2/c31-23-16-8-5-13(9-19(16)28-30-23)11-32-12-21-24-17-4-2-1-3-15(17)22(26-21)25-20-10-18(27-29-20)14-6-7-14/h1-5,8-10,14H,6-7,11-12H2,(H2,28,30,31)(H2,24,25,26,27,29)
InChIKeyGWRGFPPGPCDGAQ-UHFFFAOYSA-N
XLogP3.86
TPSA124.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(cyclopropylmethyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 70693804
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-(iodomethyl)phenyl]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 89337900
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8-methoxyquinazolin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
CID 58936102
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(methylsulfonylmethyl)phenyl]quinazoline-2,4-diamine
CID 177020193
6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one
CID 57498063
6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
CID 10069570
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 10109287
6-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-nitro-2-pyridinyl]amino]-1,2-dihydroindazol-3-one
CID 57498065
2-(2-chlorophenyl)sulfanyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10271923
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetonitrile
CID 10178929
3-amino-7-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5,12-dihydrobenzo[c][1,5,6]benzotriazonin-13-one
CID 143116232
5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
CID 58935844

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one (CID 58936121) is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(COCc3nc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)ccc12.
What is the InChIKey of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one?
The InChIKey is GWRGFPPGPCDGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c31-23-16-8-5-13(9-19(16)28-30-23)11-32-12-21-24-17-4-2-1-3-15(17)22(26-21)25-20-10-18(27-29-20)14-6-7-14/h1-5,8-10,14H,6-7,11-12H2,(H2,28,30,31)(H2,24,25,26,27,29).
What are the key properties of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one?
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one has a molecular weight of 427.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 4 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]quinazolin-2-yl]methoxymethyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).