6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H34N6O2 — CID 146322505

IUPAC6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(C)(C(O)NCC(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H34N6O2/c1-5-34-21-12-22(24-20(13-27)16-30-32(24)17-21)19-6-7-23(28-15-19)31-10-8-26(4,9-11-31)25(33)29-14-18(2)3/h6-7,12,15-18,25,29,33H,5,8-11,14H2,1-4H3
InChIKeyIQETXWBUKPNKCX-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.84
Rot. Bonds8

About 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146322505) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146322505
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(C)(C(O)NCC(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H34N6O2/c1-5-34-21-12-22(24-20(13-27)16-30-32(24)17-21)19-6-7-23(28-15-19)31-10-8-26(4,9-11-31)25(33)29-14-18(2)3/h6-7,12,15-18,25,29,33H,5,8-11,14H2,1-4H3
InChIKeyIQETXWBUKPNKCX-UHFFFAOYSA-N
XLogP3.84
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-4-[6-[4-[hydroxy-[(6-methoxy-3-pyridinyl)amino]methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435982
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436098
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
CID 146667825
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
6-ethoxy-4-[6-[(5R)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437172
6-ethoxy-4-[6-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134496409
(2S)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]azetidine-2-carboxamide;sulfane
CID 167661379
4-[6-[4-[(2R)-2-(dimethylamino)-4-methylpentanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436504

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146322505) is 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(C)(C(O)NCC(C)C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IQETXWBUKPNKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-5-34-21-12-22(24-20(13-27)16-30-32(24)17-21)19-6-7-23(28-15-19)31-10-8-26(4,9-11-31)25(33)29-14-18(2)3/h6-7,12,15-18,25,29,33H,5,8-11,14H2,1-4H3.
What are the key properties of 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 462.60 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146322505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).