N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C24H27N7O2 — CID 56836191

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCOc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)ccc1Cn1cccn1
InChIInChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32)
InChIKeyGISSAZULDJGQMV-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.71
Rot. Bonds8

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 56836191) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID56836191
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCOc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)ccc1Cn1cccn1
InChIInChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32)
InChIKeyGISSAZULDJGQMV-UHFFFAOYSA-N
XLogP2.71
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 56836191) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is COc1cc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)ccc1Cn1cccn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is GISSAZULDJGQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-16-9-23(25)29-17(2)21(16)12-26-24(32)20-11-28-31(15-20)13-18-5-6-19(22(10-18)33-3)14-30-8-4-7-27-30/h4-11,15H,12-14H2,1-3H3,(H2,25,29)(H,26,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-methoxy-4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).