N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C31H31N5O2 — CID 118933265

IUPACN-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3cc(OCc4ccccc4)ccc13)C2
InChIInChI=1S/C31H31N5O2/c1-35-29-14-15-36(20-27(29)30(34-35)31(37)33-17-22-8-4-2-5-9-22)19-24-18-32-28-16-25(12-13-26(24)28)38-21-23-10-6-3-7-11-23/h2-13,16,18,32H,14-15,17,19-21H2,1H3,(H,33,37)
InChIKeyMVVYWRBLSQTPED-UHFFFAOYSA-N
MW505.62 g/mol
LogP4.97
Rot. Bonds8

About N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933265) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933265
Molecular FormulaC31H31N5O2
Molecular Weight505.62 g/mol
Exact Mass505.25
IUPAC NameN-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3cc(OCc4ccccc4)ccc13)C2
InChIInChI=1S/C31H31N5O2/c1-35-29-14-15-36(20-27(29)30(34-35)31(37)33-17-22-8-4-2-5-9-22)19-24-18-32-28-16-25(12-13-26(24)28)38-21-23-10-6-3-7-11-23/h2-13,16,18,32H,14-15,17,19-21H2,1H3,(H,33,37)
InChIKeyMVVYWRBLSQTPED-UHFFFAOYSA-N
XLogP4.97
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933265) is N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1c[nH]c3cc(OCc4ccccc4)ccc13)C2.
What is the InChIKey of N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MVVYWRBLSQTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-35-29-14-15-36(20-27(29)30(34-35)31(37)33-17-22-8-4-2-5-9-22)19-24-18-32-28-16-25(12-13-26(24)28)38-21-23-10-6-3-7-11-23/h2-13,16,18,32H,14-15,17,19-21H2,1H3,(H,33,37).
What are the key properties of N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-5-[(6-phenylmethoxy-1H-indol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).