4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H26ClN7O2 — CID 134436737

IUPAC4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOCCOc1cc(-c2ccc(N3CCN(Cc4ccc(Cl)cn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H26ClN7O2/c1-35-10-11-36-23-12-24(26-20(13-28)15-31-34(26)18-23)19-2-5-25(30-14-19)33-8-6-32(7-9-33)17-22-4-3-21(27)16-29-22/h2-5,12,14-16,18H,6-11,17H2,1H3
InChIKeyLFYRPXRAYABNSF-UHFFFAOYSA-N
MW503.99 g/mol
LogP3.66
Rot. Bonds8

About 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436737) has the molecular formula C26H26ClN7O2 and a molecular weight of 503.99 g/mol. Its IUPAC name is 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436737
Molecular FormulaC26H26ClN7O2
Molecular Weight503.99 g/mol
Exact Mass503.18
IUPAC Name4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOCCOc1cc(-c2ccc(N3CCN(Cc4ccc(Cl)cn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H26ClN7O2/c1-35-10-11-36-23-12-24(26-20(13-28)15-31-34(26)18-23)19-2-5-25(30-14-19)33-8-6-32(7-9-33)17-22-4-3-21(27)16-29-22/h2-5,12,14-16,18H,6-11,17H2,1H3
InChIKeyLFYRPXRAYABNSF-UHFFFAOYSA-N
XLogP3.66
TPSA91.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436737) is 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is COCCOc1cc(-c2ccc(N3CCN(Cc4ccc(Cl)cn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LFYRPXRAYABNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN7O2/c1-35-10-11-36-23-12-24(26-20(13-28)15-31-34(26)18-23)19-2-5-25(30-14-19)33-8-6-32(7-9-33)17-22-4-3-21(27)16-29-22/h2-5,12,14-16,18H,6-11,17H2,1H3.
What are the key properties of 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 503.99 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).