N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide

C28H28N6O2 — CID 142326985

IUPACN-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccc4)(NC=O)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28N6O2/c1-2-36-24-14-25(27-23(16-29)18-32-34(27)19-24)22-8-9-26(30-17-22)33-12-10-28(11-13-33,31-20-35)15-21-6-4-3-5-7-21/h3-9,14,17-20H,2,10-13,15H2,1H3,(H,31,35)
InChIKeyUHFFRCKSQCXATN-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.99
Rot. Bonds8

About N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide

N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide (PubChem CID 142326985) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
PubChem CID142326985
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC NameN-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccc4)(NC=O)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H28N6O2/c1-2-36-24-14-25(27-23(16-29)18-32-34(27)19-24)22-8-9-26(30-17-22)33-12-10-28(11-13-33,31-20-35)15-21-6-4-3-5-7-21/h3-9,14,17-20H,2,10-13,15H2,1H3,(H,31,35)
InChIKeyUHFFRCKSQCXATN-UHFFFAOYSA-N
XLogP3.99
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-benzyl-1-[5-(10-ethoxy-4,5,7,8-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-12-yl)-2-pyridinyl]piperidin-4-yl]formamide
CID 170451013
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425
4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147012489
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylacetamide
CID 134497115
(2R)-2-amino-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylbutanamide
CID 134434853
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
4-[6-(4-benzyl-4-ethylpiperidin-1-yl)-3-pyridinyl]-6-propylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435810
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205

Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide?
The IUPAC name of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide (CID 142326985) is N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide.
What is the SMILES notation for N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide?
The canonical SMILES for N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccc4)(NC=O)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide?
The InChIKey is UHFFRCKSQCXATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-2-36-24-14-25(27-23(16-29)18-32-34(27)19-24)22-8-9-26(30-17-22)33-12-10-28(11-13-33,31-20-35)15-21-6-4-3-5-7-21/h3-9,14,17-20H,2,10-13,15H2,1H3,(H,31,35).
What are the key properties of N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide?
N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide has a molecular weight of 480.57 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide is sourced from PubChem (CID 142326985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).