3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C31H32N8 — CID 177316813

IUPAC3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCN1CCC2(CC1)CN(Cc1ccc(-n3c(-c4cccnc4N)nc4ncc(-c5ccccn5)cc43)cc1)C2
InChIInChI=1S/C31H32N8/c1-37-15-11-31(12-16-37)20-38(21-31)19-22-7-9-24(10-8-22)39-27-17-23(26-6-2-3-13-33-26)18-35-29(27)36-30(39)25-5-4-14-34-28(25)32/h2-10,13-14,17-18H,11-12,15-16,19-21H2,1H3,(H2,32,34)
InChIKeyTXNGHDMDOOGHSK-UHFFFAOYSA-N
MW516.65 g/mol
LogP4.65
Rot. Bonds5

About 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 177316813) has the molecular formula C31H32N8 and a molecular weight of 516.65 g/mol. Its IUPAC name is 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID177316813
Molecular FormulaC31H32N8
Molecular Weight516.65 g/mol
Exact Mass516.27
IUPAC Name3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCN1CCC2(CC1)CN(Cc1ccc(-n3c(-c4cccnc4N)nc4ncc(-c5ccccn5)cc43)cc1)C2
InChIInChI=1S/C31H32N8/c1-37-15-11-31(12-16-37)20-38(21-31)19-22-7-9-24(10-8-22)39-27-17-23(26-6-2-3-13-33-26)18-35-29(27)36-30(39)25-5-4-14-34-28(25)32/h2-10,13-14,17-18H,11-12,15-16,19-21H2,1H3,(H2,32,34)
InChIKeyTXNGHDMDOOGHSK-UHFFFAOYSA-N
XLogP4.65
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

2-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonitrile
CID 171625617
[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316736
3-[1-[4-(chloromethyl)phenyl]-6-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177316980
3-[3-[4-(2,7-diazaspiro[3.4]octan-2-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068875
1-[2-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]prop-2-en-1-one
CID 171563322
1-[8-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]prop-2-en-1-one;ethane
CID 171563378
4-[2-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-1-yl]phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyrimidine-2-carbonitrile
CID 177316757
5-[6-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-ethenylphenol
CID 171103455
4-[6-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-hydroxybenzaldehyde
CID 171103463
3-[3-[4-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethane
CID 171494981
9-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,9-diazaspiro[5.5]undecane-2-carbonitrile
CID 171625765
[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-1-yl]phenyl]methyl acetate
CID 177316668

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 177316813) is 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CN1CCC2(CC1)CN(Cc1ccc(-n3c(-c4cccnc4N)nc4ncc(-c5ccccn5)cc43)cc1)C2.
What is the InChIKey of 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is TXNGHDMDOOGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8/c1-37-15-11-31(12-16-37)20-38(21-31)19-22-7-9-24(10-8-22)39-27-17-23(26-6-2-3-13-33-26)18-35-29(27)36-30(39)25-5-4-14-34-28(25)32/h2-10,13-14,17-18H,11-12,15-16,19-21H2,1H3,(H2,32,34).
What are the key properties of 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 516.65 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]phenyl]-6-pyridin-2-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177316813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).