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

C22H23N7O — CID 134130781

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
InChIKeyWWJLNLGOEPGLIB-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.39
Rot. Bonds7

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

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 134130781) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID134130781
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1
InChIInChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)
InChIKeyWWJLNLGOEPGLIB-UHFFFAOYSA-N
XLogP2.39
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 134130781) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is WWJLNLGOEPGLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134130781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).