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

C32H37FN4O4 — CID 156829702

IUPACmethyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(F)c2c(C)c(-c3cc4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)c4n3CC3CC3)nn2c1
InChIInChI=1S/C32H37FN4O4/c1-19-27(34-37-18-23(30(38)40-5)15-25(33)28(19)37)26-16-22-7-6-8-24(29(22)36(26)17-20-9-10-20)21-11-13-35(14-12-21)31(39)41-32(2,3)4/h6-8,15-16,18,20-21H,9-14,17H2,1-5H3
InChIKeyOAGZIGNTPQIBHM-UHFFFAOYSA-N
MW560.67 g/mol
LogP6.71
Rot. Bonds5

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

methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 156829702) has the molecular formula C32H37FN4O4 and a molecular weight of 560.67 g/mol. Its IUPAC name is methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID156829702
Molecular FormulaC32H37FN4O4
Molecular Weight560.67 g/mol
Exact Mass560.28
IUPAC Namemethyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(F)c2c(C)c(-c3cc4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)c4n3CC3CC3)nn2c1
InChIInChI=1S/C32H37FN4O4/c1-19-27(34-37-18-23(30(38)40-5)15-25(33)28(19)37)26-16-22-7-6-8-24(29(22)36(26)17-20-9-10-20)21-11-13-35(14-12-21)31(39)41-32(2,3)4/h6-8,15-16,18,20-21H,9-14,17H2,1-5H3
InChIKeyOAGZIGNTPQIBHM-UHFFFAOYSA-N
XLogP6.71
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (CID 156829702) is methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1cc(F)c2c(C)c(-c3cc4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)c4n3CC3CC3)nn2c1.
What is the InChIKey of methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is OAGZIGNTPQIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O4/c1-19-27(34-37-18-23(30(38)40-5)15-25(33)28(19)37)26-16-22-7-6-8-24(29(22)36(26)17-20-9-10-20)21-11-13-35(14-12-21)31(39)41-32(2,3)4/h6-8,15-16,18,20-21H,9-14,17H2,1-5H3.
What are the key properties of methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 560.67 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclopropylmethyl)-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 156829702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).