[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone

C17H21N7O — CID 167789108

IUPAC[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone
SMILESCc1cnc2cc(C(=O)N3C[C@@H](N(C)C)[C@@H](n4ccnn4)C3)ccn12
InChIInChI=1S/C17H21N7O/c1-12-9-18-16-8-13(4-6-23(12)16)17(25)22-10-14(21(2)3)15(11-22)24-7-5-19-20-24/h4-9,14-15H,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyBPCKTEPWQYQRAX-CABCVRRESA-N
MW339.40 g/mol
LogP0.86
Rot. Bonds3

About [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone

[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone (PubChem CID 167789108) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone
PubChem CID167789108
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone
SMILESCc1cnc2cc(C(=O)N3C[C@@H](N(C)C)[C@@H](n4ccnn4)C3)ccn12
InChIInChI=1S/C17H21N7O/c1-12-9-18-16-8-13(4-6-23(12)16)17(25)22-10-14(21(2)3)15(11-22)24-7-5-19-20-24/h4-9,14-15H,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyBPCKTEPWQYQRAX-CABCVRRESA-N
XLogP0.86
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dihydro-1H-isochromen-6-yl-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 154783959
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 154793793
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
CID 154762028
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 154762023
5-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidine-1-carbonyl]-1-methylpyrrole-2-carbonitrile
CID 167876894
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 167758506
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-4-pyridinyl)methanone
CID 167753963
[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 138037943
(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 126825261
1-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)ethanone
CID 167818335
7-(1-cyclopropylethenyl)-3-methylimidazo[1,2-a]pyridine
CID 91153531
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-morpholin-4-ylcyclobutyl)methanone
CID 167832175

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone?
The IUPAC name of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone (CID 167789108) is [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone?
The canonical SMILES for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone is Cc1cnc2cc(C(=O)N3C[C@@H](N(C)C)[C@@H](n4ccnn4)C3)ccn12.
What is the InChIKey of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone?
The InChIKey is BPCKTEPWQYQRAX-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-9-18-16-8-13(4-6-23(12)16)17(25)22-10-14(21(2)3)15(11-22)24-7-5-19-20-24/h4-9,14-15H,10-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone?
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone is sourced from PubChem (CID 167789108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).