N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide

C21H23N7O — CID 58081250

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cn2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2n1
InChIInChI=1S/C21H23N7O/c1-13-6-19(22)26-15(3)18(13)8-23-21(29)17-7-24-28(12-17)11-16-4-5-20-25-14(2)9-27(20)10-16/h4-7,9-10,12H,8,11H2,1-3H3,(H2,22,26)(H,23,29)
InChIKeyXFBVLADKLOFZNC-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.41
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide (PubChem CID 58081250) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide
PubChem CID58081250
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cn2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2n1
InChIInChI=1S/C21H23N7O/c1-13-6-19(22)26-15(3)18(13)8-23-21(29)17-7-24-28(12-17)11-16-4-5-20-25-14(2)9-27(20)10-16/h4-7,9-10,12H,8,11H2,1-3H3,(H2,22,26)(H,23,29)
InChIKeyXFBVLADKLOFZNC-UHFFFAOYSA-N
XLogP2.41
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide (CID 58081250) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide is Cc1cn2cc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)ccc2n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is XFBVLADKLOFZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-6-19(22)26-15(3)18(13)8-23-21(29)17-7-24-28(12-17)11-16-4-5-20-25-14(2)9-27(20)10-16/h4-7,9-10,12H,8,11H2,1-3H3,(H2,22,26)(H,23,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-methylimidazo[1,2-a]pyridin-6-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).