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

C26H25N7O2 — CID 157374160

IUPACN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OC6CCOC6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C26H25N7O2/c1-32-15-20(13-31-32)19-4-2-18(3-5-19)12-27-25-11-23(29-17-30-25)24-14-28-26-10-21(6-8-33(24)26)35-22-7-9-34-16-22/h2-6,8,10-11,13-15,17,22H,7,9,12,16H2,1H3,(H,27,29,30)
InChIKeyBKCVLCFRFPTZNP-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.97
Rot. Bonds7

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

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 157374160) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID157374160
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OC6CCOC6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C26H25N7O2/c1-32-15-20(13-31-32)19-4-2-18(3-5-19)12-27-25-11-23(29-17-30-25)24-14-28-26-10-21(6-8-33(24)26)35-22-7-9-34-16-22/h2-6,8,10-11,13-15,17,22H,7,9,12,16H2,1H3,(H,27,29,30)
InChIKeyBKCVLCFRFPTZNP-UHFFFAOYSA-N
XLogP3.97
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 157374160) is N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)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-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OC6CCOC6)ccn45)ncn3)cc2)cn1.
What is the InChIKey of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is BKCVLCFRFPTZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-32-15-20(13-31-32)19-4-2-18(3-5-19)12-27-25-11-23(29-17-30-25)24-14-28-26-10-21(6-8-33(24)26)35-22-7-9-34-16-22/h2-6,8,10-11,13-15,17,22H,7,9,12,16H2,1H3,(H,27,29,30).
What are the key properties of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 467.53 g/mol, XLogP of 3.97, 7 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-(oxolan-3-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 157374160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).