[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C15H22N4O — CID 25338909

IUPAC[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1Cc2nc[nH]c2CN1CC1CC1)N1CCCC1
InChIInChI=1S/C15H22N4O/c20-15(18-5-1-2-6-18)14-7-12-13(17-10-16-12)9-19(14)8-11-3-4-11/h10-11,14H,1-9H2,(H,16,17)/t14-/m0/s1
InChIKeyQVRVJTOUIWFGOP-AWEZNQCLSA-N
MW274.37 g/mol
LogP1.17
Rot. Bonds3

About [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25338909) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID25338909
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1Cc2nc[nH]c2CN1CC1CC1)N1CCCC1
InChIInChI=1S/C15H22N4O/c20-15(18-5-1-2-6-18)14-7-12-13(17-10-16-12)9-19(14)8-11-3-4-11/h10-11,14H,1-9H2,(H,16,17)/t14-/m0/s1
InChIKeyQVRVJTOUIWFGOP-AWEZNQCLSA-N
XLogP1.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 25338909) is [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1Cc2nc[nH]c2CN1CC1CC1)N1CCCC1.
What is the InChIKey of [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QVRVJTOUIWFGOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(18-5-1-2-6-18)14-7-12-13(17-10-16-12)9-19(14)8-11-3-4-11/h10-11,14H,1-9H2,(H,16,17)/t14-/m0/s1.
What are the key properties of [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-5-(cyclopropylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25338909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).