4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine

C31H41N7O — CID 172568838

IUPAC4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCc1cccc(C2=NN(c3cc(N4CCOCC4)c4nc(CN5CCCCC5)n(CC5CC5)c4n3)CCC2)c1
InChIInChI=1S/C31H41N7O/c1-23-7-5-8-25(19-23)26-9-6-14-38(34-26)28-20-27(36-15-17-39-18-16-36)30-31(33-28)37(21-24-10-11-24)29(32-30)22-35-12-3-2-4-13-35/h5,7-8,19-20,24H,2-4,6,9-18,21-22H2,1H3
InChIKeyAQSQIHPPAMRGQP-UHFFFAOYSA-N
MW527.72 g/mol
LogP4.98
Rot. Bonds7

About 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine

4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568838) has the molecular formula C31H41N7O and a molecular weight of 527.72 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID172568838
Molecular FormulaC31H41N7O
Molecular Weight527.72 g/mol
Exact Mass527.34
IUPAC Name4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCc1cccc(C2=NN(c3cc(N4CCOCC4)c4nc(CN5CCCCC5)n(CC5CC5)c4n3)CCC2)c1
InChIInChI=1S/C31H41N7O/c1-23-7-5-8-25(19-23)26-9-6-14-38(34-26)28-20-27(36-15-17-39-18-16-36)30-31(33-28)37(21-24-10-11-24)29(32-30)22-35-12-3-2-4-13-35/h5,7-8,19-20,24H,2-4,6,9-18,21-22H2,1H3
InChIKeyAQSQIHPPAMRGQP-UHFFFAOYSA-N
XLogP4.98
TPSA62.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.72
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine with MolForge

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Related Compounds

3-methyl-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-yl-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-5-amine
CID 172568734
[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
6-[5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-morpholin-4-yl-1H-pyrimidin-2-one
CID 163864176
1-[2-(chloromethyl)-3-ethyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazole-5-carbaldehyde;methoxyethane
CID 172568572
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
4-[2-chloro-7-[(4-methylcyclohexyl)methyl]-6-(3-methylphenyl)purin-8-yl]morpholine
CID 118558979
4-[3-methyl-5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-2-pyridin-3-ylimidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568812
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
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
7-[(4-methylcyclohexyl)methyl]-6-(3-methylphenyl)-8-morpholin-4-ylpurine-2-carboxylic acid
CID 118558794
2,3-bis(2-methoxyethyl)-N-[(E)-1-(3-methylphenyl)ethylideneamino]-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-amine
CID 172568891

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568838) is 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine is Cc1cccc(C2=NN(c3cc(N4CCOCC4)c4nc(CN5CCCCC5)n(CC5CC5)c4n3)CCC2)c1.
What is the InChIKey of 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is AQSQIHPPAMRGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O/c1-23-7-5-8-25(19-23)26-9-6-14-38(34-26)28-20-27(36-15-17-39-18-16-36)30-31(33-28)37(21-24-10-11-24)29(32-30)22-35-12-3-2-4-13-35/h5,7-8,19-20,24H,2-4,6,9-18,21-22H2,1H3.
What are the key properties of 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine?
4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 527.72 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethyl)-5-[6-(3-methylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-2-(piperidin-1-ylmethyl)imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).