7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C25H25FN8 — CID 146490652

IUPAC7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n4nc(C[C@@H]5CCCN5C)nc34)cn12
InChIInChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m0/s1
InChIKeyBFJGLGUWQKURET-IBGZPJMESA-N
MW456.53 g/mol
LogP3.77
Rot. Bonds4

About 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490652) has the molecular formula C25H25FN8 and a molecular weight of 456.53 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490652
Molecular FormulaC25H25FN8
Molecular Weight456.53 g/mol
Exact Mass456.22
IUPAC Name7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n4nc(C[C@@H]5CCCN5C)nc34)cn12
InChIInChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m0/s1
InChIKeyBFJGLGUWQKURET-IBGZPJMESA-N
XLogP3.77
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490652) is 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n4nc(C[C@@H]5CCCN5C)nc34)cn12.
What is the InChIKey of 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is BFJGLGUWQKURET-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m0/s1.
What are the key properties of 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 456.53 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).