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

C35H41FN4O4 — CID 156829889

IUPACethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(C)c(-c3cc4cc(F)cc(C5CCN(C(=O)C6CCC(O)CC6)CC5)c4n3CC3CC3)nn2c1
InChIInChI=1S/C35H41FN4O4/c1-3-44-35(43)25-8-11-30-21(2)32(37-40(30)20-25)31-17-26-16-27(36)18-29(33(26)39(31)19-22-4-5-22)23-12-14-38(15-13-23)34(42)24-6-9-28(41)10-7-24/h8,11,16-18,20,22-24,28,41H,3-7,9-10,12-15,19H2,1-2H3
InChIKeyOUTHRLIIDDVZKL-UHFFFAOYSA-N
MW600.74 g/mol
LogP6.25
Rot. Bonds7

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

ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 156829889) has the molecular formula C35H41FN4O4 and a molecular weight of 600.74 g/mol. Its IUPAC name is ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID156829889
Molecular FormulaC35H41FN4O4
Molecular Weight600.74 g/mol
Exact Mass600.31
IUPAC Nameethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(C)c(-c3cc4cc(F)cc(C5CCN(C(=O)C6CCC(O)CC6)CC5)c4n3CC3CC3)nn2c1
InChIInChI=1S/C35H41FN4O4/c1-3-44-35(43)25-8-11-30-21(2)32(37-40(30)20-25)31-17-26-16-27(36)18-29(33(26)39(31)19-22-4-5-22)23-12-14-38(15-13-23)34(42)24-6-9-28(41)10-7-24/h8,11,16-18,20,22-24,28,41H,3-7,9-10,12-15,19H2,1-2H3
InChIKeyOUTHRLIIDDVZKL-UHFFFAOYSA-N
XLogP6.25
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.74
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (CID 156829889) is ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2c(C)c(-c3cc4cc(F)cc(C5CCN(C(=O)C6CCC(O)CC6)CC5)c4n3CC3CC3)nn2c1.
What is the InChIKey of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is OUTHRLIIDDVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN4O4/c1-3-44-35(43)25-8-11-30-21(2)32(37-40(30)20-25)31-17-26-16-27(36)18-29(33(26)39(31)19-22-4-5-22)23-12-14-38(15-13-23)34(42)24-6-9-28(41)10-7-24/h8,11,16-18,20,22-24,28,41H,3-7,9-10,12-15,19H2,1-2H3.
What are the key properties of ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 600.74 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(4-hydroxycyclohexanecarbonyl)piperidin-4-yl]indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 156829889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).