(4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one

C23H22ClN7O2 — CID 91826391

IUPAC(4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(N)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C23H22ClN7O2/c1-12-26-27-22-17(25)9-16(10-29(12)22)30-20(13-3-5-14(24)6-4-13)19-18(11-33-2)28-31(15-7-8-15)21(19)23(30)32/h3-6,9-10,15,20H,7-8,11,25H2,1-2H3/t20-/m1/s1
InChIKeySAJVWIFFPNLZRK-HXUWFJFHSA-N
MW463.93 g/mol
LogP3.70
Rot. Bonds5

About (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one

(4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 91826391) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID91826391
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Name(4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCOCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(N)c3nnc(C)n3c1)C2=O
InChIInChI=1S/C23H22ClN7O2/c1-12-26-27-22-17(25)9-16(10-29(12)22)30-20(13-3-5-14(24)6-4-13)19-18(11-33-2)28-31(15-7-8-15)21(19)23(30)32/h3-6,9-10,15,20H,7-8,11,25H2,1-2H3/t20-/m1/s1
InChIKeySAJVWIFFPNLZRK-HXUWFJFHSA-N
XLogP3.70
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 91826391) is (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one is COCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(N)c3nnc(C)n3c1)C2=O.
What is the InChIKey of (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is SAJVWIFFPNLZRK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-12-26-27-22-17(25)9-16(10-29(12)22)30-20(13-3-5-14(24)6-4-13)19-18(11-33-2)28-31(15-7-8-15)21(19)23(30)32/h3-6,9-10,15,20H,7-8,11,25H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one?
(4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 463.93 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(8-amino-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-(4-chlorophenyl)-1-cyclopropyl-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 91826391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).