N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide

C13H13ClN4O — CID 139506256

IUPACN-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide
SMILESO=CNc1cc(-c2cnn3c2CCCC3)c(Cl)cn1
InChIInChI=1S/C13H13ClN4O/c14-11-7-15-13(16-8-19)5-9(11)10-6-17-18-4-2-1-3-12(10)18/h5-8H,1-4H2,(H,15,16,19)
InChIKeyYYJGIXORTSQTFK-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.50
Rot. Bonds3

About N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide

N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide (PubChem CID 139506256) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide
PubChem CID139506256
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide
SMILESO=CNc1cc(-c2cnn3c2CCCC3)c(Cl)cn1
InChIInChI=1S/C13H13ClN4O/c14-11-7-15-13(16-8-19)5-9(11)10-6-17-18-4-2-1-3-12(10)18/h5-8H,1-4H2,(H,15,16,19)
InChIKeyYYJGIXORTSQTFK-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide?
The IUPAC name of N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide (CID 139506256) is N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide.
What is the SMILES notation for N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide?
The canonical SMILES for N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide is O=CNc1cc(-c2cnn3c2CCCC3)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide?
The InChIKey is YYJGIXORTSQTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-7-15-13(16-8-19)5-9(11)10-6-17-18-4-2-1-3-12(10)18/h5-8H,1-4H2,(H,15,16,19).
What are the key properties of N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide?
N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide has a molecular weight of 276.73 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]formamide is sourced from PubChem (CID 139506256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).