(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone

C26H30FN9O — CID 130301027

IUPAC(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChIInChI=1S/C26H30FN9O/c1-5-34-8-10-35(11-9-34)25(37)18-6-7-22(28-13-18)32-26-30-15-20(27)23(33-26)19-12-21-24(29-14-19)31-17(4)36(21)16(2)3/h6-7,12-16H,5,8-11H2,1-4H3,(H,28,30,32,33)
InChIKeyDOUFFRZIRGUHTC-UHFFFAOYSA-N
MW503.59 g/mol
LogP3.83
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 130301027) has the molecular formula C26H30FN9O and a molecular weight of 503.59 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
PubChem CID130301027
Molecular FormulaC26H30FN9O
Molecular Weight503.59 g/mol
Exact Mass503.26
IUPAC Name(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChIInChI=1S/C26H30FN9O/c1-5-34-8-10-35(11-9-34)25(37)18-6-7-22(28-13-18)32-26-30-15-20(27)23(33-26)19-12-21-24(29-14-19)31-17(4)36(21)16(2)3/h6-7,12-16H,5,8-11H2,1-4H3,(H,28,30,32,33)
InChIKeyDOUFFRZIRGUHTC-UHFFFAOYSA-N
XLogP3.83
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone 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 (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone (CID 130301027) is (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is DOUFFRZIRGUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN9O/c1-5-34-8-10-35(11-9-34)25(37)18-6-7-22(28-13-18)32-26-30-15-20(27)23(33-26)19-12-21-24(29-14-19)31-17(4)36(21)16(2)3/h6-7,12-16H,5,8-11H2,1-4H3,(H,28,30,32,33).
What are the key properties of (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 503.59 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(2-methyl-1-propan-2-ylimidazo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 130301027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).