4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

C25H30FN9 — CID 155282038

IUPAC4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)N1CCN(c2ccc(Nc3nccc(-c4cc5c(ncn5C(C)C)c(F)n4)n3)nc2)CC1
InChIInChI=1S/C25H30FN9/c1-16(2)33-9-11-34(12-10-33)18-5-6-22(28-14-18)32-25-27-8-7-19(31-25)20-13-21-23(24(26)30-20)29-15-35(21)17(3)4/h5-8,13-17H,9-12H2,1-4H3,(H,27,28,31,32)
InChIKeyUJXLNDHBAIXHQB-UHFFFAOYSA-N
MW475.58 g/mol
LogP4.28
Rot. Bonds6

About 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 155282038) has the molecular formula C25H30FN9 and a molecular weight of 475.58 g/mol. Its IUPAC name is 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID155282038
Molecular FormulaC25H30FN9
Molecular Weight475.58 g/mol
Exact Mass475.26
IUPAC Name4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)N1CCN(c2ccc(Nc3nccc(-c4cc5c(ncn5C(C)C)c(F)n4)n3)nc2)CC1
InChIInChI=1S/C25H30FN9/c1-16(2)33-9-11-34(12-10-33)18-5-6-22(28-14-18)32-25-27-8-7-19(31-25)20-13-21-23(24(26)30-20)29-15-35(21)17(3)4/h5-8,13-17H,9-12H2,1-4H3,(H,27,28,31,32)
InChIKeyUJXLNDHBAIXHQB-UHFFFAOYSA-N
XLogP4.28
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 155282038) is 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is CC(C)N1CCN(c2ccc(Nc3nccc(-c4cc5c(ncn5C(C)C)c(F)n4)n3)nc2)CC1.
What is the InChIKey of 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is UJXLNDHBAIXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN9/c1-16(2)33-9-11-34(12-10-33)18-5-6-22(28-14-18)32-25-27-8-7-19(31-25)20-13-21-23(24(26)30-20)29-15-35(21)17(3)4/h5-8,13-17H,9-12H2,1-4H3,(H,27,28,31,32).
What are the key properties of 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 475.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)-N-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 155282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).