2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid

C33H37FN4O4 — CID 156829504

IUPAC2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1c(-c2cc3cc(F)cc(C4CCN(C(=O)C5CCC(O)CC5)CC4)c3n2CC2CC2)nn2cc(C(=O)O)ccc12
InChIInChI=1S/C33H37FN4O4/c1-19-28-9-6-23(33(41)42)18-38(28)35-30(19)29-15-24-14-25(34)16-27(31(24)37(29)17-20-2-3-20)21-10-12-36(13-11-21)32(40)22-4-7-26(39)8-5-22/h6,9,14-16,18,20-22,26,39H,2-5,7-8,10-13,17H2,1H3,(H,41,42)
InChIKeySYVPCQGLRYEGAX-UHFFFAOYSA-N
MW572.68 g/mol
LogP5.77
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid

2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 156829504) has the molecular formula C33H37FN4O4 and a molecular weight of 572.68 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID156829504
Molecular FormulaC33H37FN4O4
Molecular Weight572.68 g/mol
Exact Mass572.28
IUPAC Name2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1c(-c2cc3cc(F)cc(C4CCN(C(=O)C5CCC(O)CC5)CC4)c3n2CC2CC2)nn2cc(C(=O)O)ccc12
InChIInChI=1S/C33H37FN4O4/c1-19-28-9-6-23(33(41)42)18-38(28)35-30(19)29-15-24-14-25(34)16-27(31(24)37(29)17-20-2-3-20)21-10-12-36(13-11-21)32(40)22-4-7-26(39)8-5-22/h6,9,14-16,18,20-22,26,39H,2-5,7-8,10-13,17H2,1H3,(H,41,42)
InChIKeySYVPCQGLRYEGAX-UHFFFAOYSA-N
XLogP5.77
TPSA100.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.68
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 156829504) is 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid is Cc1c(-c2cc3cc(F)cc(C4CCN(C(=O)C5CCC(O)CC5)CC4)c3n2CC2CC2)nn2cc(C(=O)O)ccc12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is SYVPCQGLRYEGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN4O4/c1-19-28-9-6-23(33(41)42)18-38(28)35-30(19)29-15-24-14-25(34)16-27(31(24)37(29)17-20-2-3-20)21-10-12-36(13-11-21)32(40)22-4-7-26(39)8-5-22/h6,9,14-16,18,20-22,26,39H,2-5,7-8,10-13,17H2,1H3,(H,41,42).
What are the key properties of 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid?
2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 572.68 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 156829504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).