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

C28H29FN8O — CID 155587534

IUPAC6-[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
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCC(F)C6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C28H29FN8O/c1-35-17-22(15-34-35)21-4-2-20(3-5-21)14-30-27-13-25(32-19-33-27)26-16-31-28-12-24(7-9-37(26)28)38-11-10-36-8-6-23(29)18-36/h2-5,7,9,12-13,15-17,19,23H,6,8,10-11,14,18H2,1H3,(H,30,32,33)
InChIKeyXKJWUPKPOXDHRI-UHFFFAOYSA-N
MW512.59 g/mol
LogP4.23
Rot. Bonds9

About 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

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 (PubChem CID 155587534) has the molecular formula C28H29FN8O and a molecular weight of 512.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID155587534
Molecular FormulaC28H29FN8O
Molecular Weight512.59 g/mol
Exact Mass512.24
IUPAC Name6-[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
SMILESCn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCC(F)C6)ccn45)ncn3)cc2)cn1
InChIInChI=1S/C28H29FN8O/c1-35-17-22(15-34-35)21-4-2-20(3-5-21)14-30-27-13-25(32-19-33-27)26-16-31-28-12-24(7-9-37(26)28)38-11-10-36-8-6-23(29)18-36/h2-5,7,9,12-13,15-17,19,23H,6,8,10-11,14,18H2,1H3,(H,30,32,33)
InChIKeyXKJWUPKPOXDHRI-UHFFFAOYSA-N
XLogP4.23
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[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-[(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-[3-(oxetan-3-ylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587543
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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 158581361
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
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
CID 155587558
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)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine
CID 155587675
N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine
CID 155587599

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCC(F)C6)ccn45)ncn3)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is XKJWUPKPOXDHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O/c1-35-17-22(15-34-35)21-4-2-20(3-5-21)14-30-27-13-25(32-19-33-27)26-16-31-28-12-24(7-9-37(26)28)38-11-10-36-8-6-23(29)18-36/h2-5,7,9,12-13,15-17,19,23H,6,8,10-11,14,18H2,1H3,(H,30,32,33).
What are the key properties of 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?
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 has a molecular weight of 512.59 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155587534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).