4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine

C24H27N7O — CID 172568691

IUPAC4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(CC5CNC5)c4n3)n2)c1
InChIInChI=1S/C24H27N7O/c1-17-3-2-4-19(11-17)20-5-6-31(28-20)22-12-21(29-7-9-32-10-8-29)23-24(27-22)30(16-26-23)15-18-13-25-14-18/h2-6,11-12,16,18,25H,7-10,13-15H2,1H3
InChIKeyHHBIRIFUNOBZMT-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.65
Rot. Bonds5

About 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine

4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568691) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID172568691
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(CC5CNC5)c4n3)n2)c1
InChIInChI=1S/C24H27N7O/c1-17-3-2-4-19(11-17)20-5-6-31(28-20)22-12-21(29-7-9-32-10-8-29)23-24(27-22)30(16-26-23)15-18-13-25-14-18/h2-6,11-12,16,18,25H,7-10,13-15H2,1H3
InChIKeyHHBIRIFUNOBZMT-UHFFFAOYSA-N
XLogP2.65
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
CID 172568603
4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568535
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
4-[4-[3-(3-methylphenyl)pyrazol-1-yl]-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-6-yl]morpholine
CID 172568696
4-[5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568284
4-[2-(chloromethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-7-yl]morpholine
CID 169032485
N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 172568584
1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
CID 172568503
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067
N-[(1R)-2-methyl-1-[3-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]propyl]acetamide
CID 172568525
2-[5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 172568940
2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
CID 172568646

Frequently Asked Questions

What is the IUPAC name of 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568691) is 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(CC5CNC5)c4n3)n2)c1.
What is the InChIKey of 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is HHBIRIFUNOBZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17-3-2-4-19(11-17)20-5-6-31(28-20)22-12-21(29-7-9-32-10-8-29)23-24(27-22)30(16-26-23)15-18-13-25-14-18/h2-6,11-12,16,18,25H,7-10,13-15H2,1H3.
What are the key properties of 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine?
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 429.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).