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

C22H20N8 — CID 155587709

IUPAC3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(N)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C22H20N8/c1-29-13-17(11-28-29)16-4-2-15(3-5-16)10-24-21-9-19(26-14-27-21)20-12-25-22-8-18(23)6-7-30(20)22/h2-9,11-14H,10,23H2,1H3,(H,24,26,27)
InChIKeyIFHQCPOVCZUOKO-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.39
Rot. Bonds5

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

3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine (PubChem CID 155587709) has the molecular formula C22H20N8 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
PubChem CID155587709
Molecular FormulaC22H20N8
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(N)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C22H20N8/c1-29-13-17(11-28-29)16-4-2-15(3-5-16)10-24-21-9-19(26-14-27-21)20-12-25-22-8-18(23)6-7-30(20)22/h2-9,11-14H,10,23H2,1H3,(H,24,26,27)
InChIKeyIFHQCPOVCZUOKO-UHFFFAOYSA-N
XLogP3.39
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine with MolForge

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Related Compounds

6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587755
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 158581361
6-[7-[3-(azetidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587846
6-[7-[2-(3-fluoroazetidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587590
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
CID 155587558
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[3-(oxetan-3-ylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587543
6-[7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587534
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587788
6-[7-(3-methylsulfonylpropoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587473
N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587837
(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
CID 155587723
CID 167639737
CID 167639737

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine (CID 155587709) is 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine is Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(N)ccn45)ncn3)cc2)cn1.
What is the InChIKey of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine?
The InChIKey is IFHQCPOVCZUOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8/c1-29-13-17(11-28-29)16-4-2-15(3-5-16)10-24-21-9-19(26-14-27-21)20-12-25-22-8-18(23)6-7-30(20)22/h2-9,11-14H,10,23H2,1H3,(H,24,26,27).
What are the key properties of 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine?
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine has a molecular weight of 396.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 155587709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).