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

C24H25N7O2 — CID 56836625

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cncc(Oc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1
InChIInChI=1S/C24H25N7O2/c1-15-8-22(25)30-17(3)21(15)11-27-24(32)19-10-28-31(14-19)13-18-4-6-20(7-5-18)33-23-12-26-9-16(2)29-23/h4-10,12,14H,11,13H2,1-3H3,(H2,25,30)(H,27,32)
InChIKeyLMKPUGVRQMCJJU-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.35
Rot. Bonds7

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide (PubChem CID 56836625) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide
PubChem CID56836625
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cncc(Oc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1
InChIInChI=1S/C24H25N7O2/c1-15-8-22(25)30-17(3)21(15)11-27-24(32)19-10-28-31(14-19)13-18-4-6-20(7-5-18)33-23-12-26-9-16(2)29-23/h4-10,12,14H,11,13H2,1-3H3,(H2,25,30)(H,27,32)
InChIKeyLMKPUGVRQMCJJU-UHFFFAOYSA-N
XLogP3.35
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.35
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-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide (CID 56836625) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide is Cc1cncc(Oc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is LMKPUGVRQMCJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-15-8-22(25)30-17(3)21(15)11-27-24(32)19-10-28-31(14-19)13-18-4-6-20(7-5-18)33-23-12-26-9-16(2)29-23/h4-10,12,14H,11,13H2,1-3H3,(H2,25,30)(H,27,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.35, 7 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-[[4-(6-methylpyrazin-2-yl)oxyphenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56836625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).