N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide

C27H34N4O2 — CID 46074332

IUPACN-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCCN1CCc2c(c(CN(CC(C)C)C(=O)c3ccc(OC)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C27H34N4O2/c1-5-29-16-15-26-24(18-29)25(28-31(26)22-9-7-6-8-10-22)19-30(17-20(2)3)27(32)21-11-13-23(33-4)14-12-21/h6-14,20H,5,15-19H2,1-4H3
InChIKeyAUPWKWKOIGJREF-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.56
Rot. Bonds8

About N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide

N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 46074332) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
PubChem CID46074332
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
SMILESCCN1CCc2c(c(CN(CC(C)C)C(=O)c3ccc(OC)cc3)nn2-c2ccccc2)C1
InChIInChI=1S/C27H34N4O2/c1-5-29-16-15-26-24(18-29)25(28-31(26)22-9-7-6-8-10-22)19-30(17-20(2)3)27(32)21-11-13-23(33-4)14-12-21/h6-14,20H,5,15-19H2,1-4H3
InChIKeyAUPWKWKOIGJREF-UHFFFAOYSA-N
XLogP4.56
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide (CID 46074332) is N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide is CCN1CCc2c(c(CN(CC(C)C)C(=O)c3ccc(OC)cc3)nn2-c2ccccc2)C1.
What is the InChIKey of N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is AUPWKWKOIGJREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-5-29-16-15-26-24(18-29)25(28-31(26)22-9-7-6-8-10-22)19-30(17-20(2)3)27(32)21-11-13-23(33-4)14-12-21/h6-14,20H,5,15-19H2,1-4H3.
What are the key properties of N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46074332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).