[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone

About [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone

[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone (PubChem CID 156828918) has the molecular formula C34H35N5O3 and a molecular weight of 561.69 g/mol. Its IUPAC name is [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name	[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone
PubChem CID	156828918
Molecular Formula	C34H35N5O3
Molecular Weight	561.69 g/mol
Exact Mass	561.27
IUPAC Name	[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone
SMILES	[H]/N=C1\CCCN(C(=O)c2cc(OC)c3c(C)c(-c4cc5ccc(-c6cccc(CO)c6)cc5n4CC4CC4)nn3c2)C1
InChI	InChI=1S/C34H35N5O3/c1-21-32(36-39-18-27(16-31(42-2)33(21)39)34(41)37-12-4-7-28(35)19-37)30-15-26-11-10-25(24-6-3-5-23(13-24)20-40)14-29(26)38(30)17-22-8-9-22/h3,5-6,10-11,13-16,18,22,35,40H,4,7-9,12,17,19-20H2,1-2H3/b35-28+
InChIKey	GEUNNILFYPEJHW-AWQADKOQSA-N
XLogP	6.10
TPSA	95.85 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone?

The IUPAC name of [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone (CID 156828918) is [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone.

What is the SMILES notation for [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone?

The canonical SMILES for [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone is [H]/N=C1\CCCN(C(=O)c2cc(OC)c3c(C)c(-c4cc5ccc(-c6cccc(CO)c6)cc5n4CC4CC4)nn3c2)C1.

What is the InChIKey of [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone?

The InChIKey is GEUNNILFYPEJHW-AWQADKOQSA-N. The full InChI is InChI=1S/C34H35N5O3/c1-21-32(36-39-18-27(16-31(42-2)33(21)39)34(41)37-12-4-7-28(35)19-37)30-15-26-11-10-25(24-6-3-5-23(13-24)20-40)14-29(26)38(30)17-22-8-9-22/h3,5-6,10-11,13-16,18,22,35,40H,4,7-9,12,17,19-20H2,1-2H3/b35-28+.

What are the key properties of [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone?

[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone has a molecular weight of 561.69 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone is sourced from PubChem (CID 156828918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).