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3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one

C22H19N7O — CID 155587558

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
SMILESCn1cc(-c2ccc(CNc3cc(-c4c[nH]c5cc(=O)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C22H19N7O/c1-28-13-17(11-27-28)16-4-2-15(3-5-16)10-23-21-9-19(25-14-26-21)20-12-24-22-8-18(30)6-7-29(20)22/h2-9,11-14,24H,10H2,1H3,(H,23,25,26)
InChIKeyKFZQEYGOVVADLU-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.10
Rot. Bonds5

About 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one

3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one (PubChem CID 155587558) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one.

Molecular Properties

Compound Name3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
PubChem CID155587558
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
SMILESCn1cc(-c2ccc(CNc3cc(-c4c[nH]c5cc(=O)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C22H19N7O/c1-28-13-17(11-27-28)16-4-2-15(3-5-16)10-23-21-9-19(25-14-26-21)20-12-24-22-8-18(30)6-7-29(20)22/h2-9,11-14,24H,10H2,1H3,(H,23,25,26)
InChIKeyKFZQEYGOVVADLU-UHFFFAOYSA-N
XLogP3.10
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one?
The IUPAC name of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one (CID 155587558) is 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one.
What is the SMILES notation for 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one?
The canonical SMILES for 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one is Cn1cc(-c2ccc(CNc3cc(-c4c[nH]c5cc(=O)ccn45)ncn3)cc2)cn1.
What is the InChIKey of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one?
The InChIKey is KFZQEYGOVVADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-28-13-17(11-27-28)16-4-2-15(3-5-16)10-23-21-9-19(25-14-26-21)20-12-24-22-8-18(30)6-7-29(20)22/h2-9,11-14,24H,10H2,1H3,(H,23,25,26).
What are the key properties of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one?
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one has a molecular weight of 397.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one is sourced from PubChem (CID 155587558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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