(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

C22H15F2N7O2 — CID 169021076

IUPAC(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
SMILESC[C@@]12CC(=O)Nc3nc(-n4nc(Cc5ccccc5F)c5ncc(F)cc54)nc(c31)NC2=O
InChIInChI=1S/C22H15F2N7O2/c1-22-8-15(32)26-18-16(22)19(27-20(22)33)29-21(28-18)31-14-7-11(23)9-25-17(14)13(30-31)6-10-4-2-3-5-12(10)24/h2-5,7,9H,6,8H2,1H3,(H2,26,27,28,29,32,33)/t22-/m1/s1
InChIKeyHJWQCOQREINTDK-JOCHJYFZSA-N
MW447.41 g/mol
LogP2.63
Rot. Bonds3

About (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

(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 (PubChem CID 169021076) has the molecular formula C22H15F2N7O2 and a molecular weight of 447.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169021076
Molecular FormulaC22H15F2N7O2
Molecular Weight447.41 g/mol
Exact Mass447.13
IUPAC Name(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
SMILESC[C@@]12CC(=O)Nc3nc(-n4nc(Cc5ccccc5F)c5ncc(F)cc54)nc(c31)NC2=O
InChIInChI=1S/C22H15F2N7O2/c1-22-8-15(32)26-18-16(22)19(27-20(22)33)29-21(28-18)31-14-7-11(23)9-25-17(14)13(30-31)6-10-4-2-3-5-12(10)24/h2-5,7,9H,6,8H2,1H3,(H2,26,27,28,29,32,33)/t22-/m1/s1
InChIKeyHJWQCOQREINTDK-JOCHJYFZSA-N
XLogP2.63
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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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
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
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
methyl N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-N-[(3-ethylphenyl)methyl]carbamate
CID 123609111
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
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
methyl 2-[(2-bromophenyl)methyl-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]amino]acetate
CID 123686346
methyl N-[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 69256014
4-amino-2-[3-[(2-fluorophenyl)methyl]-4-methylpyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118962295
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
CID 89103239
3-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-9-methyl-2,4,6,12-tetrazatricyclo[7.3.1.05,13]trideca-1(13),2,4-trien-7-one
CID 169020923
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
CID 118247345

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@]12CC(=O)Nc3nc(-n4nc(Cc5ccccc5F)c5ncc(F)cc54)nc(c31)NC2=O.
What is the InChIKey of (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?
The InChIKey is HJWQCOQREINTDK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H15F2N7O2/c1-22-8-15(32)26-18-16(22)19(27-20(22)33)29-21(28-18)31-14-7-11(23)9-25-17(14)13(30-31)6-10-4-2-3-5-12(10)24/h2-5,7,9H,6,8H2,1H3,(H2,26,27,28,29,32,33)/t22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 447.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169021076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).