2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H24ClN7O — CID 162357259

IUPAC2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3cc(N4CCCCC4)ncc3Cl)nc2n1
InChIInChI=1S/C19H24ClN7O/c1-2-6-14-10-17(28)27-19(23-14)24-18(25-27)22-11-13-9-16(21-12-15(13)20)26-7-4-3-5-8-26/h9-10,12H,2-8,11H2,1H3,(H2,22,23,24,25)
InChIKeyNZBNTQHBMPXBFD-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.02
Rot. Bonds6

About 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 162357259) has the molecular formula C19H24ClN7O and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID162357259
Molecular FormulaC19H24ClN7O
Molecular Weight401.90 g/mol
Exact Mass401.17
IUPAC Name2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3cc(N4CCCCC4)ncc3Cl)nc2n1
InChIInChI=1S/C19H24ClN7O/c1-2-6-14-10-17(28)27-19(23-14)24-18(25-27)22-11-13-9-16(21-12-15(13)20)26-7-4-3-5-8-26/h9-10,12H,2-8,11H2,1H3,(H2,22,23,24,25)
InChIKeyNZBNTQHBMPXBFD-UHFFFAOYSA-N
XLogP3.02
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357209
2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 3486325
5-butyl-2-[[2-chloro-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357228
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607412
2-[[2-methoxy-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357257
5-(anilinomethyl)-2-[(2-chlorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53207972
2-[(3-chlorophenyl)methylamino]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610648
5-[(3-chloro-4-methylanilino)methyl]-2-[(4-ethylphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53208119
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
2-[(4-chlorophenyl)methylamino]-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98242991
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
CID 7693042

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 162357259) is 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3cc(N4CCCCC4)ncc3Cl)nc2n1.
What is the InChIKey of 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NZBNTQHBMPXBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O/c1-2-6-14-10-17(28)27-19(23-14)24-18(25-27)22-11-13-9-16(21-12-15(13)20)26-7-4-3-5-8-26/h9-10,12H,2-8,11H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 401.90 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 162357259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).