2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one

C24H20F4N6O2 — CID 71285464

IUPAC2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4ncccc43)nc(OCCC(F)(F)F)c21
InChIInChI=1S/C24H20F4N6O2/c1-23(2)17-19(30-21(23)35)31-22(32-20(17)36-11-9-24(26,27)28)34-16-8-5-10-29-18(16)15(33-34)12-13-6-3-4-7-14(13)25/h3-8,10H,9,11-12H2,1-2H3,(H,30,31,32,35)
InChIKeySNCORLIQVSXLQT-UHFFFAOYSA-N
MW500.46 g/mol
LogP4.50
Rot. Bonds6

About 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one

2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 71285464) has the molecular formula C24H20F4N6O2 and a molecular weight of 500.46 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID71285464
Molecular FormulaC24H20F4N6O2
Molecular Weight500.46 g/mol
Exact Mass500.16
IUPAC Name2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4ncccc43)nc(OCCC(F)(F)F)c21
InChIInChI=1S/C24H20F4N6O2/c1-23(2)17-19(30-21(23)35)31-22(32-20(17)36-11-9-24(26,27)28)34-16-8-5-10-29-18(16)15(33-34)12-13-6-3-4-7-14(13)25/h3-8,10H,9,11-12H2,1-2H3,(H,30,31,32,35)
InChIKeySNCORLIQVSXLQT-UHFFFAOYSA-N
XLogP4.50
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

(4R)-10-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-4-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3,6-dione
CID 169021076
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
CID 89103239
4-amino-2-[3-[(2-fluorophenyl)methyl]-5-phenylindazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 67424796
4-amino-2-[3-[(2-fluorophenyl)methyl]-4-methylpyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118962295
4-amino-2-[5-chloro-3-(3,3,3-trifluoropropyl)pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 129040034
4-bromo-2-[3-[(2-fluorophenyl)methyl]-4-methoxypyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118962269
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
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
CID 118247345
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285704
1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine
CID 134498771
N-(cyclopropylmethyl)-2-[3-[(2-fluorophenyl)methyl]indazol-1-yl]-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 144540732
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid
CID 118247350

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 71285464) is 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4ncccc43)nc(OCCC(F)(F)F)c21.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SNCORLIQVSXLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O2/c1-23(2)17-19(30-21(23)35)31-22(32-20(17)36-11-9-24(26,27)28)34-16-8-5-10-29-18(16)15(33-34)12-13-6-3-4-7-14(13)25/h3-8,10H,9,11-12H2,1-2H3,(H,30,31,32,35).
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 500.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 71285464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).