[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone

C14H16N4O — CID 97254888

IUPAC[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C14H16N4O/c19-14(18-6-9-2-1-3-10(9)7-18)12-5-4-11-13(17-12)16-8-15-11/h4-5,8-10H,1-3,6-7H2,(H,15,16,17)/t9-,10-/m0/s1
InChIKeyFQXYBNXMYMQBEF-UWVGGRQHSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds1

About [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone

[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone (PubChem CID 97254888) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
PubChem CID97254888
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C14H16N4O/c19-14(18-6-9-2-1-3-10(9)7-18)12-5-4-11-13(17-12)16-8-15-11/h4-5,8-10H,1-3,6-7H2,(H,15,16,17)/t9-,10-/m0/s1
InChIKeyFQXYBNXMYMQBEF-UWVGGRQHSA-N
XLogP1.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 138997867
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CID 86654097
1H-imidazo[4,5-b]pyridin-5-yl-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765161
N-[1-(2-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 154801629
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)pyrazine-2-carboxylic acid
CID 120689040
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 167757142
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(2H-triazolo[4,5-b]pyridin-5-yl)methanone
CID 139458342
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-amino-1H-pyrrol-2-yl)methanone
CID 115558672
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone
CID 158751762
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
1-[(3aR,6aS)-2-(1,8-naphthyridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopropylpropan-1-one
CID 167811149

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
The IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone (CID 97254888) is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
The canonical SMILES for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone is O=C(c1ccc2[nH]cnc2n1)N1C[C@@H]2CCC[C@H]2C1.
What is the InChIKey of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
The InChIKey is FQXYBNXMYMQBEF-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(18-6-9-2-1-3-10(9)7-18)12-5-4-11-13(17-12)16-8-15-11/h4-5,8-10H,1-3,6-7H2,(H,15,16,17)/t9-,10-/m0/s1.
What are the key properties of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone?
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone is sourced from PubChem (CID 97254888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).