N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide

C21H16ClN7O — CID 90157332

IUPACN-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc4c(cnn4C)c3)cnc2cn1)c1ccc(Cl)nc1
InChIInChI=1S/C21H16ClN7O/c1-27(15-4-6-19(22)24-9-15)21(30)16-12-29-18(10-25-20(29)11-23-16)13-3-5-17-14(7-13)8-26-28(17)2/h3-12H,1-2H3
InChIKeyXRFFZEQWQUYAOG-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.61
Rot. Bonds3

About N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide

N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157332) has the molecular formula C21H16ClN7O and a molecular weight of 417.86 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157332
Molecular FormulaC21H16ClN7O
Molecular Weight417.86 g/mol
Exact Mass417.11
IUPAC NameN-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc4c(cnn4C)c3)cnc2cn1)c1ccc(Cl)nc1
InChIInChI=1S/C21H16ClN7O/c1-27(15-4-6-19(22)24-9-15)21(30)16-12-29-18(10-25-20(29)11-23-16)13-3-5-17-14(7-13)8-26-28(17)2/h3-12H,1-2H3
InChIKeyXRFFZEQWQUYAOG-UHFFFAOYSA-N
XLogP3.61
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157332) is N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc4c(cnn4C)c3)cnc2cn1)c1ccc(Cl)nc1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is XRFFZEQWQUYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN7O/c1-27(15-4-6-19(22)24-9-15)21(30)16-12-29-18(10-25-20(29)11-23-16)13-3-5-17-14(7-13)8-26-28(17)2/h3-12H,1-2H3.
What are the key properties of N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide?
N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 417.86 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-N-methyl-3-(1-methylindazol-5-yl)imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).