6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C33H33N7O3 — CID 23635132

IUPAC6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1
InChIInChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1
InChIKeyJFZUXBACKAQZEY-HHHXNRCGSA-N
MW575.67 g/mol
LogP3.96
Rot. Bonds8

About 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 23635132) has the molecular formula C33H33N7O3 and a molecular weight of 575.67 g/mol. Its IUPAC name is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID23635132
Molecular FormulaC33H33N7O3
Molecular Weight575.67 g/mol
Exact Mass575.26
IUPAC Name6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1
InChIInChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1
InChIKeyJFZUXBACKAQZEY-HHHXNRCGSA-N
XLogP3.96
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.67
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 23635132) is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is COc1ccc(-n2nc(Cn3nccn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1.
What is the InChIKey of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is JFZUXBACKAQZEY-HHHXNRCGSA-N. The full InChI is InChI=1S/C33H33N7O3/c1-43-28-12-10-26(11-13-28)40-32-30(31(36-40)22-39-34-16-17-35-39)15-19-38(33(32)42)25-8-6-23(7-9-25)29-5-3-2-4-24(29)20-37-18-14-27(41)21-37/h2-13,16-17,27,41H,14-15,18-22H2,1H3/t27-/m1/s1.
What are the key properties of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 575.67 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(triazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 23635132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).