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

C23H26N6O — CID 56836858

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3[nH]c(C)c(C)c3c2)c1
InChIInChI=1S/C23H26N6O/c1-13-7-22(24)28-16(4)20(13)10-25-23(30)18-9-26-29(12-18)11-17-5-6-21-19(8-17)14(2)15(3)27-21/h5-9,12,27H,10-11H2,1-4H3,(H2,24,28)(H,25,30)
InChIKeyHGVKEHICKRVVTE-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.55
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 56836858) 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-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID56836858
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3[nH]c(C)c(C)c3c2)c1
InChIInChI=1S/C23H26N6O/c1-13-7-22(24)28-16(4)20(13)10-25-23(30)18-9-26-29(12-18)11-17-5-6-21-19(8-17)14(2)15(3)27-21/h5-9,12,27H,10-11H2,1-4H3,(H2,24,28)(H,25,30)
InChIKeyHGVKEHICKRVVTE-UHFFFAOYSA-N
XLogP3.55
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide (CID 56836858) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3[nH]c(C)c(C)c3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is HGVKEHICKRVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-13-7-22(24)28-16(4)20(13)10-25-23(30)18-9-26-29(12-18)11-17-5-6-21-19(8-17)14(2)15(3)27-21/h5-9,12,27H,10-11H2,1-4H3,(H2,24,28)(H,25,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2,3-dimethyl-1H-indol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).