[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone

C19H24N4O2 — CID 164642388

IUPAC[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccnc3nc(CC4CC4)[nH]c23)C2(CCC2)CO1
InChIInChI=1S/C19H24N4O2/c1-12-10-23(19(11-25-12)6-2-7-19)18(24)14-5-8-20-17-16(14)21-15(22-17)9-13-3-4-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyHPQDRICNYAYNQT-LBPRGKRZSA-N
MW340.43 g/mol
LogP2.69
Rot. Bonds3

About [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone

[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone (PubChem CID 164642388) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone
PubChem CID164642388
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccnc3nc(CC4CC4)[nH]c23)C2(CCC2)CO1
InChIInChI=1S/C19H24N4O2/c1-12-10-23(19(11-25-12)6-2-7-19)18(24)14-5-8-20-17-16(14)21-15(22-17)9-13-3-4-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyHPQDRICNYAYNQT-LBPRGKRZSA-N
XLogP2.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone?
The IUPAC name of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone (CID 164642388) is [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone.
What is the SMILES notation for [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone?
The canonical SMILES for [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone is C[C@H]1CN(C(=O)c2ccnc3nc(CC4CC4)[nH]c23)C2(CCC2)CO1.
What is the InChIKey of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone?
The InChIKey is HPQDRICNYAYNQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-10-23(19(11-25-12)6-2-7-19)18(24)14-5-8-20-17-16(14)21-15(22-17)9-13-3-4-13/h5,8,12-13H,2-4,6-7,9-11H2,1H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone?
[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-[(7S)-7-methyl-8-oxa-5-azaspiro[3.5]nonan-5-yl]methanone is sourced from PubChem (CID 164642388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).