4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine

C24H27ClN4O — CID 91417338

IUPAC4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine
SMILESCC1=C2CN(c3ccccc3Cl)N=C2CCN1Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H27ClN4O/c1-18-20-17-29(24-9-5-3-7-21(24)25)26-22(20)10-11-28(18)16-19-6-2-4-8-23(19)27-12-14-30-15-13-27/h2-9H,10-17H2,1H3
InChIKeyBHDJQTLMCBFHFQ-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.53
Rot. Bonds4

About 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine

4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine (PubChem CID 91417338) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine
PubChem CID91417338
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine
SMILESCC1=C2CN(c3ccccc3Cl)N=C2CCN1Cc1ccccc1N1CCOCC1
InChIInChI=1S/C24H27ClN4O/c1-18-20-17-29(24-9-5-3-7-21(24)25)26-22(20)10-11-28(18)16-19-6-2-4-8-23(19)27-12-14-30-15-13-27/h2-9H,10-17H2,1H3
InChIKeyBHDJQTLMCBFHFQ-UHFFFAOYSA-N
XLogP4.53
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine?
The IUPAC name of 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine (CID 91417338) is 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine.
What is the SMILES notation for 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine?
The canonical SMILES for 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine is CC1=C2CN(c3ccccc3Cl)N=C2CCN1Cc1ccccc1N1CCOCC1.
What is the InChIKey of 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine?
The InChIKey is BHDJQTLMCBFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-18-20-17-29(24-9-5-3-7-21(24)25)26-22(20)10-11-28(18)16-19-6-2-4-8-23(19)27-12-14-30-15-13-27/h2-9H,10-17H2,1H3.
What are the key properties of 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine?
4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine has a molecular weight of 422.96 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-chlorophenyl)-4-methyl-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]morpholine is sourced from PubChem (CID 91417338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).