N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C19H14ClN5O — CID 127047590

IUPACN-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccnc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C19H14ClN5O/c20-17-9-12(3-8-22-17)11-23-19(26)14-1-2-16-15(10-14)18(25-24-16)13-4-6-21-7-5-13/h1-10H,11H2,(H,23,26)(H,24,25)
InChIKeyBBBIIPZFBLEZDZ-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.60
Rot. Bonds4

About N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 127047590) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
PubChem CID127047590
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccnc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C19H14ClN5O/c20-17-9-12(3-8-22-17)11-23-19(26)14-1-2-16-15(10-14)18(25-24-16)13-4-6-21-7-5-13/h1-10H,11H2,(H,23,26)(H,24,25)
InChIKeyBBBIIPZFBLEZDZ-UHFFFAOYSA-N
XLogP3.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 127047590) is N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is O=C(NCc1ccnc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
The InChIKey is BBBIIPZFBLEZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-17-9-12(3-8-22-17)11-23-19(26)14-1-2-16-15(10-14)18(25-24-16)13-4-6-21-7-5-13/h1-10H,11H2,(H,23,26)(H,24,25).
What are the key properties of N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?
N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)methyl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 127047590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).