N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide

C23H26N6O — CID 58081242

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1
InChIInChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30)
InChIKeyIYSFGGFTJDDAJG-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.26
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 58081242) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID58081242
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1
InChIInChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30)
InChIKeyIYSFGGFTJDDAJG-UHFFFAOYSA-N
XLogP3.26
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide (CID 58081242) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)cc(C)n3C)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is IYSFGGFTJDDAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-14-7-22(24)27-16(3)20(14)11-25-23(30)19-10-26-29(13-19)12-17-5-6-21-18(9-17)8-15(2)28(21)4/h5-10,13H,11-12H2,1-4H3,(H2,24,27)(H,25,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1,2-dimethylindol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).