ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate

C27H31N5O2 — CID 156829374

IUPACethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(C)c(-c3cc4ccnc(C5CCNCC5)c4n3CC3CC3)nn2c1
InChIInChI=1S/C27H31N5O2/c1-3-34-27(33)21-6-7-22-17(2)24(30-32(22)16-21)23-14-20-10-13-29-25(19-8-11-28-12-9-19)26(20)31(23)15-18-4-5-18/h6-7,10,13-14,16,18-19,28H,3-5,8-9,11-12,15H2,1-2H3
InChIKeyWEMRTHVPGZGAKL-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.71
Rot. Bonds6

About ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 156829374) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID156829374
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Nameethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2c(C)c(-c3cc4ccnc(C5CCNCC5)c4n3CC3CC3)nn2c1
InChIInChI=1S/C27H31N5O2/c1-3-34-27(33)21-6-7-22-17(2)24(30-32(22)16-21)23-14-20-10-13-29-25(19-8-11-28-12-9-19)26(20)31(23)15-18-4-5-18/h6-7,10,13-14,16,18-19,28H,3-5,8-9,11-12,15H2,1-2H3
InChIKeyWEMRTHVPGZGAKL-UHFFFAOYSA-N
XLogP4.71
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate (CID 156829374) is ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2c(C)c(-c3cc4ccnc(C5CCNCC5)c4n3CC3CC3)nn2c1.
What is the InChIKey of ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is WEMRTHVPGZGAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-3-34-27(33)21-6-7-22-17(2)24(30-32(22)16-21)23-14-20-10-13-29-25(19-8-11-28-12-9-19)26(20)31(23)15-18-4-5-18/h6-7,10,13-14,16,18-19,28H,3-5,8-9,11-12,15H2,1-2H3.
What are the key properties of ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 457.58 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(cyclopropylmethyl)-7-piperidin-4-ylpyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 156829374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).