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

C28H32N6O2 — CID 172568535

IUPAC4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESc1cc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(CC5CCOCC5)c4n3)n2)cc(C2CC2)c1
InChIInChI=1S/C28H32N6O2/c1-2-22(21-4-5-21)16-23(3-1)24-6-9-34(31-24)26-17-25(32-10-14-36-15-11-32)27-28(30-26)33(19-29-27)18-20-7-12-35-13-8-20/h1-3,6,9,16-17,19-21H,4-5,7-8,10-15,18H2
InChIKeyPNOQOXNZKOTZNJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.42
Rot. Bonds6

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

4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568535) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID172568535
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESc1cc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(CC5CCOCC5)c4n3)n2)cc(C2CC2)c1
InChIInChI=1S/C28H32N6O2/c1-2-22(21-4-5-21)16-23(3-1)24-6-9-34(31-24)26-17-25(32-10-14-36-15-11-32)27-28(30-26)33(19-29-27)18-20-7-12-35-13-8-20/h1-3,6,9,16-17,19-21H,4-5,7-8,10-15,18H2
InChIKeyPNOQOXNZKOTZNJ-UHFFFAOYSA-N
XLogP4.42
TPSA70.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
3-(cyclopropylmethyl)-N-[(E)-1-(3-cyclopropylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568846
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
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
2-[5-[3-(2-fluoro-3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-N-methylethanamine
CID 172568646
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-[(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
methane;7-morpholin-4-yl-5-(3-phenylpyrazol-1-yl)furo[3,2-b]pyridine
CID 166156169
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-propyl-5H-cyclopenta[b]pyridin-4-yl]morpholine
CID 167250067

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568535) is 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine is c1cc(-c2ccn(-c3cc(N4CCOCC4)c4ncn(CC5CCOCC5)c4n3)n2)cc(C2CC2)c1.
What is the InChIKey of 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is PNOQOXNZKOTZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-2-22(21-4-5-21)16-23(3-1)24-6-9-34(31-24)26-17-25(32-10-14-36-15-11-32)27-28(30-26)33(19-29-27)18-20-7-12-35-13-8-20/h1-3,6,9,16-17,19-21H,4-5,7-8,10-15,18H2.
What are the key properties of 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 484.60 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-cyclopropylphenyl)pyrazol-1-yl]-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).