6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid

C16H18ClN5O3 — CID 154906773

IUPAC6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
SMILESCc1cnc(C(C)NC(=O)c2c(C)nc3ccc(Cl)cn23)[nH]1.O=CO
InChIInChI=1S/C15H16ClN5O.CH2O2/c1-8-6-17-14(18-8)10(3)20-15(22)13-9(2)19-12-5-4-11(16)7-21(12)13;2-1-3/h4-7,10H,1-3H3,(H,17,18)(H,20,22);1H,(H,2,3)
InChIKeyNDJCKPNQKBBHKJ-UHFFFAOYSA-N
MW363.81 g/mol
LogP2.52
Rot. Bonds3

About 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid

6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid (PubChem CID 154906773) has the molecular formula C16H18ClN5O3 and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
PubChem CID154906773
Molecular FormulaC16H18ClN5O3
Molecular Weight363.81 g/mol
Exact Mass363.11
IUPAC Name6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid
SMILESCc1cnc(C(C)NC(=O)c2c(C)nc3ccc(Cl)cn23)[nH]1.O=CO
InChIInChI=1S/C15H16ClN5O.CH2O2/c1-8-6-17-14(18-8)10(3)20-15(22)13-9(2)19-12-5-4-11(16)7-21(12)13;2-1-3/h4-7,10H,1-3H3,(H,17,18)(H,20,22);1H,(H,2,3)
InChIKeyNDJCKPNQKBBHKJ-UHFFFAOYSA-N
XLogP2.52
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126450169
1,6-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 126435307
6-amino-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 122572343
3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
CID 154905248
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
4-(5-chloro-2-pyridinyl)-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]piperazine-1-carboxamide
CID 125447527
2-indazol-2-yl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 122572191
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 125438716
3-[(6-chloro-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]benzoic acid
CID 39164223
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 125444590

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
The IUPAC name of 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid (CID 154906773) is 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid.
What is the SMILES notation for 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
The canonical SMILES for 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid is Cc1cnc(C(C)NC(=O)c2c(C)nc3ccc(Cl)cn23)[nH]1.O=CO.
What is the InChIKey of 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
The InChIKey is NDJCKPNQKBBHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O.CH2O2/c1-8-6-17-14(18-8)10(3)20-15(22)13-9(2)19-12-5-4-11(16)7-21(12)13;2-1-3/h4-7,10H,1-3H3,(H,17,18)(H,20,22);1H,(H,2,3).
What are the key properties of 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid?
6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid has a molecular weight of 363.81 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid is sourced from PubChem (CID 154906773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).