N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C25H26ClN5O2 — CID 118933287

IUPACN-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C25H26ClN5O2/c26-19-5-3-4-17(12-19)13-28-25(33)24-21-16-30(9-8-23(21)31(29-24)10-11-32)15-18-14-27-22-7-2-1-6-20(18)22/h1-7,12,14,27,32H,8-11,13,15-16H2,(H,28,33)
InChIKeyRBSQTUVSQAHMBH-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.50
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 118933287) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID118933287
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C25H26ClN5O2/c26-19-5-3-4-17(12-19)13-28-25(33)24-21-16-30(9-8-23(21)31(29-24)10-11-32)15-18-14-27-22-7-2-1-6-20(18)22/h1-7,12,14,27,32H,8-11,13,15-16H2,(H,28,33)
InChIKeyRBSQTUVSQAHMBH-UHFFFAOYSA-N
XLogP3.50
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 118933287) is N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1cccc(Cl)c1)c1nn(CCO)c2c1CN(Cc1c[nH]c3ccccc13)CC2.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is RBSQTUVSQAHMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c26-19-5-3-4-17(12-19)13-28-25(33)24-21-16-30(9-8-23(21)31(29-24)10-11-32)15-18-14-27-22-7-2-1-6-20(18)22/h1-7,12,14,27,32H,8-11,13,15-16H2,(H,28,33).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-5-(1H-indol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118933287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).