pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone

C20H24N6O — CID 131688415

IUPACpyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C20H24N6O/c27-20(17-11-22-26-9-2-1-5-18(17)26)25-14-16(12-23-7-3-4-8-23)13-24-10-6-21-19(24)15-25/h1-2,5-6,9-11,16H,3-4,7-8,12-15H2
InChIKeySYGIBAOHQQDFNB-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.90
Rot. Bonds3

About pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone

pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (PubChem CID 131688415) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
PubChem CID131688415
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Namepyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESO=C(c1cnn2ccccc12)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C20H24N6O/c27-20(17-11-22-26-9-2-1-5-18(17)26)25-14-16(12-23-7-3-4-8-23)13-24-10-6-21-19(24)15-25/h1-2,5-6,9-11,16H,3-4,7-8,12-15H2
InChIKeySYGIBAOHQQDFNB-UHFFFAOYSA-N
XLogP1.90
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462802
(1-methylpyrrol-2-yl)-[(6S)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462807
3-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carbonyl]-1H-pyridazin-6-one
CID 131688554
(5-cyclopropyl-1,2-oxazol-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131687603
2-ethoxy-1-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 97462833
2-ethoxy-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118744940
(3-amino-5-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120978
3-[1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 103117101
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
2-[[(6R)-8-(pyrrolidine-1-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
CID 97463185
1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-3-one
CID 103118159

Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (CID 131688415) is pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is O=C(c1cnn2ccccc12)N1Cc2nccn2CC(CN2CCCC2)C1.
What is the InChIKey of pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The InChIKey is SYGIBAOHQQDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-20(17-11-22-26-9-2-1-5-18(17)26)25-14-16(12-23-7-3-4-8-23)13-24-10-6-21-19(24)15-25/h1-2,5-6,9-11,16H,3-4,7-8,12-15H2.
What are the key properties of pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyridin-3-yl-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 131688415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).