6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one

C20H16FN7O — CID 162659623

IUPAC6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one
SMILESCn1c(=O)[nH]c2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(N)c21
InChIInChI=1S/C20H16FN7O/c1-27-16-17(22)23-19(24-18(16)25-20(27)29)28-15-9-5-3-7-12(15)14(26-28)10-11-6-2-4-8-13(11)21/h2-9H,10H2,1H3,(H3,22,23,24,25,29)
InChIKeyAUSIWDVLYSFDBW-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.31
Rot. Bonds3

About 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one

6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one (PubChem CID 162659623) has the molecular formula C20H16FN7O and a molecular weight of 389.39 g/mol. Its IUPAC name is 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one.

Molecular Properties

Compound Name6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one
PubChem CID162659623
Molecular FormulaC20H16FN7O
Molecular Weight389.39 g/mol
Exact Mass389.14
IUPAC Name6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one
SMILESCn1c(=O)[nH]c2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(N)c21
InChIInChI=1S/C20H16FN7O/c1-27-16-17(22)23-19(24-18(16)25-20(27)29)28-15-9-5-3-7-12(15)14(26-28)10-11-6-2-4-8-13(11)21/h2-9H,10H2,1H3,(H3,22,23,24,25,29)
InChIKeyAUSIWDVLYSFDBW-UHFFFAOYSA-N
XLogP2.31
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-[3-[(2-fluorophenyl)methyl]-5-phenylindazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 67424796
5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine
CID 158078403
4-amino-2-[5-chloro-3-[(2-fluorophenyl)methyl]indazol-1-yl]-5-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 89438394
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
CID 89103239
methyl N-[4,6-diamino-2-[3-[(2,3,6-trifluorophenyl)methyl]indazol-1-yl]pyrimidin-5-yl]carbamate
CID 71201856
[4,6-diamino-2-[3-[(2,3,6-trifluorophenyl)methyl]indazol-1-yl]pyrimidin-5-yl] N-ethylcarbamate
CID 123509021
2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-4-oxo-6,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 174732422
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
CID 118247345
N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 144540732
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[(2,3,6-trifluorophenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine
CID 67408018
methyl N-benzyl-N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
CID 57330770
ethyl N-benzyl-N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamate
CID 57330769

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one?
The IUPAC name of 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one (CID 162659623) is 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one.
What is the SMILES notation for 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one?
The canonical SMILES for 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one is Cn1c(=O)[nH]c2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(N)c21.
What is the InChIKey of 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one?
The InChIKey is AUSIWDVLYSFDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O/c1-27-16-17(22)23-19(24-18(16)25-20(27)29)28-15-9-5-3-7-12(15)14(26-28)10-11-6-2-4-8-13(11)21/h2-9H,10H2,1H3,(H3,22,23,24,25,29).
What are the key properties of 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one?
6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one has a molecular weight of 389.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-7-methyl-9H-purin-8-one is sourced from PubChem (CID 162659623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).