[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone

C20H25N5O — CID 164572943

IUPAC[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1C2CCC1CN(c1ccnc3nc(C4CCC4)[nH]c13)C2
InChIInChI=1S/C20H25N5O/c26-20(13-4-5-13)25-14-6-7-15(25)11-24(10-14)16-8-9-21-19-17(16)22-18(23-19)12-2-1-3-12/h8-9,12-15H,1-7,10-11H2,(H,21,22,23)
InChIKeyCQUWSDNSWGCBHO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds3

About [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone

[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone (PubChem CID 164572943) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone
PubChem CID164572943
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1C2CCC1CN(c1ccnc3nc(C4CCC4)[nH]c13)C2
InChIInChI=1S/C20H25N5O/c26-20(13-4-5-13)25-14-6-7-15(25)11-24(10-14)16-8-9-21-19-17(16)22-18(23-19)12-2-1-3-12/h8-9,12-15H,1-7,10-11H2,(H,21,22,23)
InChIKeyCQUWSDNSWGCBHO-UHFFFAOYSA-N
XLogP2.82
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone?
The IUPAC name of [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone (CID 164572943) is [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone is O=C(C1CC1)N1C2CCC1CN(c1ccnc3nc(C4CCC4)[nH]c13)C2.
What is the InChIKey of [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone?
The InChIKey is CQUWSDNSWGCBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-20(13-4-5-13)25-14-6-7-15(25)11-24(10-14)16-8-9-21-19-17(16)22-18(23-19)12-2-1-3-12/h8-9,12-15H,1-7,10-11H2,(H,21,22,23).
What are the key properties of [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone?
[3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone has a molecular weight of 351.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-cyclopropylmethanone is sourced from PubChem (CID 164572943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).