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

C27H26N8O — CID 158581361

IUPACN-[[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
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(N6CC7(COC7)C6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C27H26N8O/c1-33-13-21(11-32-33)20-4-2-19(3-5-20)10-28-25-9-23(30-18-31-25)24-12-29-26-8-22(6-7-35(24)26)34-14-27(15-34)16-36-17-27/h2-9,11-13,18H,10,14-17H2,1H3,(H,28,30,31)
InChIKeyHTHDTFWCYZVZRL-UHFFFAOYSA-N
MW478.56 g/mol
LogP3.64
Rot. Bonds6

About 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

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 (PubChem CID 158581361) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID158581361
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC NameN-[[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
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(N6CC7(COC7)C6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C27H26N8O/c1-33-13-21(11-32-33)20-4-2-19(3-5-20)10-28-25-9-23(30-18-31-25)24-12-29-26-8-22(6-7-35(24)26)34-14-27(15-34)16-36-17-27/h2-9,11-13,18H,10,14-17H2,1H3,(H,28,30,31)
InChIKeyHTHDTFWCYZVZRL-UHFFFAOYSA-N
XLogP3.64
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
CID 155587709
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-[(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
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
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
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
CID 155587558
2-[1-[3-[6-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-yl]ethanol
CID 167629948
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587788
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
6-[7-(3-methylsulfonylpropoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587473
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(N6CC7(COC7)C6)ccn45)ncn3)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is HTHDTFWCYZVZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-33-13-21(11-32-33)20-4-2-19(3-5-20)10-28-25-9-23(30-18-31-25)24-12-29-26-8-22(6-7-35(24)26)34-14-27(15-34)16-36-17-27/h2-9,11-13,18H,10,14-17H2,1H3,(H,28,30,31).
What are the key properties of 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?
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 has a molecular weight of 478.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158581361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).