1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H24ClN5O2 — CID 42933348

IUPAC1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl
InChIInChI=1S/C25H24ClN5O2/c1-3-27-24(32)16(2)29-25(33)19-13-22(17-9-5-4-6-10-17)30-23-20(19)14-28-31(23)15-18-11-7-8-12-21(18)26/h4-14,16H,3,15H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyRZJBCSFXINEUKR-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.05
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42933348) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42933348
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl
InChIInChI=1S/C25H24ClN5O2/c1-3-27-24(32)16(2)29-25(33)19-13-22(17-9-5-4-6-10-17)30-23-20(19)14-28-31(23)15-18-11-7-8-12-21(18)26/h4-14,16H,3,15H2,1-2H3,(H,27,32)(H,29,33)
InChIKeyRZJBCSFXINEUKR-UHFFFAOYSA-N
XLogP4.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 42933348) is 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCNC(=O)C(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RZJBCSFXINEUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-3-27-24(32)16(2)29-25(33)19-13-22(17-9-5-4-6-10-17)30-23-20(19)14-28-31(23)15-18-11-7-8-12-21(18)26/h4-14,16H,3,15H2,1-2H3,(H,27,32)(H,29,33).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42933348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).