N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide

C23H27N5O2 — CID 91913333

IUPACN-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
SMILESCOc1cccc(CN2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)n1
InChIInChI=1S/C23H27N5O2/c1-17(29)28(19-9-5-4-6-10-19)16-21-20-15-27(13-12-22(20)26(2)25-21)14-18-8-7-11-23(24-18)30-3/h4-11H,12-16H2,1-3H3
InChIKeyZCAIAQBBORRZBL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.94
Rot. Bonds6

About N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide

N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (PubChem CID 91913333) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
PubChem CID91913333
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide
SMILESCOc1cccc(CN2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)n1
InChIInChI=1S/C23H27N5O2/c1-17(29)28(19-9-5-4-6-10-19)16-21-20-15-27(13-12-22(20)26(2)25-21)14-18-8-7-11-23(24-18)30-3/h4-11H,12-16H2,1-3H3
InChIKeyZCAIAQBBORRZBL-UHFFFAOYSA-N
XLogP2.94
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The IUPAC name of N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide (CID 91913333) is N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide.
What is the SMILES notation for N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The canonical SMILES for N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is COc1cccc(CN2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)n1.
What is the InChIKey of N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
The InChIKey is ZCAIAQBBORRZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(29)28(19-9-5-4-6-10-19)16-21-20-15-27(13-12-22(20)26(2)25-21)14-18-8-7-11-23(24-18)30-3/h4-11H,12-16H2,1-3H3.
What are the key properties of N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide?
N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(6-methoxy-2-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylacetamide is sourced from PubChem (CID 91913333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).