2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide

C22H24N10O — CID 162365606

IUPAC2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCn1c(CNc2cc(C(=O)NCc3cnc4n3CCCC4)ccn2)nnc1-c1ccncn1
InChIInChI=1S/C22H24N10O/c1-31-20(29-30-21(31)17-6-7-23-14-28-17)13-25-18-10-15(5-8-24-18)22(33)27-12-16-11-26-19-4-2-3-9-32(16)19/h5-8,10-11,14H,2-4,9,12-13H2,1H3,(H,24,25)(H,27,33)
InChIKeyHUOBGQPZPHYKLZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP1.74
Rot. Bonds7

About 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide

2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 162365606) has the molecular formula C22H24N10O and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID162365606
Molecular FormulaC22H24N10O
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC Name2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCn1c(CNc2cc(C(=O)NCc3cnc4n3CCCC4)ccn2)nnc1-c1ccncn1
InChIInChI=1S/C22H24N10O/c1-31-20(29-30-21(31)17-6-7-23-14-28-17)13-25-18-10-15(5-8-24-18)22(33)27-12-16-11-26-19-4-2-3-9-32(16)19/h5-8,10-11,14H,2-4,9,12-13H2,1H3,(H,24,25)(H,27,33)
InChIKeyHUOBGQPZPHYKLZ-UHFFFAOYSA-N
XLogP1.74
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

5-methyl-1-N,3-N-bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 166225501
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(1,3-thiazol-5-ylmethyl)benzamide
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3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]benzamide
CID 166578962
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579401
N-[(3-ethyl-4-pyridinyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366260
N-[(4-methoxyphenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366067
N-(3,4-dihydro-1H-isochromen-5-ylmethyl)-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579150
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 162366001
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579239
3-[(1R)-1-[[3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]ethyl]benzoic acid
CID 164592503
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366229
N-[[4-(1,5-dihydrotriazol-2-yl)phenyl]methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162365799

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 162365606) is 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide is Cn1c(CNc2cc(C(=O)NCc3cnc4n3CCCC4)ccn2)nnc1-c1ccncn1.
What is the InChIKey of 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is HUOBGQPZPHYKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N10O/c1-31-20(29-30-21(31)17-6-7-23-14-28-17)13-25-18-10-15(5-8-24-18)22(33)27-12-16-11-26-19-4-2-3-9-32(16)19/h5-8,10-11,14H,2-4,9,12-13H2,1H3,(H,24,25)(H,27,33).
What are the key properties of 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 162365606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).