6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine

C26H29FN8 — CID 167619817

IUPAC6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(F)nc(-c3ccnc(Cc4ccc(N5CCN(C6CC6)CC5)cn4)n3)cc21
InChIInChI=1S/C26H29FN8/c1-17(2)35-16-30-25-23(35)14-22(32-26(25)27)21-7-8-28-24(31-21)13-18-3-4-20(15-29-18)34-11-9-33(10-12-34)19-5-6-19/h3-4,7-8,14-17,19H,5-6,9-13H2,1-2H3
InChIKeyMGWVITVIQWVTRI-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.88
Rot. Bonds6

About 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine

6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 167619817) has the molecular formula C26H29FN8 and a molecular weight of 472.57 g/mol. Its IUPAC name is 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID167619817
Molecular FormulaC26H29FN8
Molecular Weight472.57 g/mol
Exact Mass472.25
IUPAC Name6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(F)nc(-c3ccnc(Cc4ccc(N5CCN(C6CC6)CC5)cn4)n3)cc21
InChIInChI=1S/C26H29FN8/c1-17(2)35-16-30-25-23(35)14-22(32-26(25)27)21-7-8-28-24(31-21)13-18-3-4-20(15-29-18)34-11-9-33(10-12-34)19-5-6-19/h3-4,7-8,14-17,19H,5-6,9-13H2,1-2H3
InChIKeyMGWVITVIQWVTRI-UHFFFAOYSA-N
XLogP3.88
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine 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 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine (CID 167619817) is 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1cnc2c(F)nc(-c3ccnc(Cc4ccc(N5CCN(C6CC6)CC5)cn4)n3)cc21.
What is the InChIKey of 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is MGWVITVIQWVTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8/c1-17(2)35-16-30-25-23(35)14-22(32-26(25)27)21-7-8-28-24(31-21)13-18-3-4-20(15-29-18)34-11-9-33(10-12-34)19-5-6-19/h3-4,7-8,14-17,19H,5-6,9-13H2,1-2H3.
What are the key properties of 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 472.57 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]methyl]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 167619817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).