6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid

C30H32N4O5 — CID 174866792

IUPAC6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(C4(CN5CC[C@@H](O)C5)CC4)cc2)CC32CC2)cc1
InChIInChI=1S/C30H32N4O5/c1-39-23-8-6-21(7-9-23)34-26-24(25(31-34)28(37)38)30(13-14-30)18-33(27(26)36)20-4-2-19(3-5-20)29(11-12-29)17-32-15-10-22(35)16-32/h2-9,22,35H,10-18H2,1H3,(H,37,38)/t22-/m1/s1
InChIKeyGJBDXBRMVJDALV-JOCHJYFZSA-N
MW528.61 g/mol
LogP3.37
Rot. Bonds7

About 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid

6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid (PubChem CID 174866792) has the molecular formula C30H32N4O5 and a molecular weight of 528.61 g/mol. Its IUPAC name is 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid
PubChem CID174866792
Molecular FormulaC30H32N4O5
Molecular Weight528.61 g/mol
Exact Mass528.24
IUPAC Name6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(C4(CN5CC[C@@H](O)C5)CC4)cc2)CC32CC2)cc1
InChIInChI=1S/C30H32N4O5/c1-39-23-8-6-21(7-9-23)34-26-24(25(31-34)28(37)38)30(13-14-30)18-33(27(26)36)20-4-2-19(3-5-20)29(11-12-29)17-32-15-10-22(35)16-32/h2-9,22,35H,10-18H2,1H3,(H,37,38)/t22-/m1/s1
InChIKeyGJBDXBRMVJDALV-JOCHJYFZSA-N
XLogP3.37
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid?
The IUPAC name of 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid (CID 174866792) is 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid.
What is the SMILES notation for 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid?
The canonical SMILES for 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(C4(CN5CC[C@@H](O)C5)CC4)cc2)CC32CC2)cc1.
What is the InChIKey of 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid?
The InChIKey is GJBDXBRMVJDALV-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H32N4O5/c1-39-23-8-6-21(7-9-23)34-26-24(25(31-34)28(37)38)30(13-14-30)18-33(27(26)36)20-4-2-19(3-5-20)29(11-12-29)17-32-15-10-22(35)16-32/h2-9,22,35H,10-18H2,1H3,(H,37,38)/t22-/m1/s1.
What are the key properties of 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid?
6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid has a molecular weight of 528.61 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxospiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxylic acid is sourced from PubChem (CID 174866792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).