(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide

C20H25N7O — CID 90183490

IUPAC(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide
SMILESCc1nc2cnc(Nc3ccnc(/C=C/C(C)(C)C(N)=O)n3)cc2n1C(C)C
InChIInChI=1S/C20H25N7O/c1-12(2)27-13(3)24-14-11-23-18(10-15(14)27)26-17-7-9-22-16(25-17)6-8-20(4,5)19(21)28/h6-12H,1-5H3,(H2,21,28)(H,22,23,25,26)/b8-6+
InChIKeyCTUOWUBSEUXLDY-SOFGYWHQSA-N
MW379.47 g/mol
LogP3.38
Rot. Bonds6

About (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide

(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide (PubChem CID 90183490) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide.

Molecular Properties

Compound Name(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide
PubChem CID90183490
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide
SMILESCc1nc2cnc(Nc3ccnc(/C=C/C(C)(C)C(N)=O)n3)cc2n1C(C)C
InChIInChI=1S/C20H25N7O/c1-12(2)27-13(3)24-14-11-23-18(10-15(14)27)26-17-7-9-22-16(25-17)6-8-20(4,5)19(21)28/h6-12H,1-5H3,(H2,21,28)(H,22,23,25,26)/b8-6+
InChIKeyCTUOWUBSEUXLDY-SOFGYWHQSA-N
XLogP3.38
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide?
The IUPAC name of (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide (CID 90183490) is (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide.
What is the SMILES notation for (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide?
The canonical SMILES for (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide is Cc1nc2cnc(Nc3ccnc(/C=C/C(C)(C)C(N)=O)n3)cc2n1C(C)C.
What is the InChIKey of (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide?
The InChIKey is CTUOWUBSEUXLDY-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H25N7O/c1-12(2)27-13(3)24-14-11-23-18(10-15(14)27)26-17-7-9-22-16(25-17)6-8-20(4,5)19(21)28/h6-12H,1-5H3,(H2,21,28)(H,22,23,25,26)/b8-6+.
What are the key properties of (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide?
(E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide has a molecular weight of 379.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]but-3-enamide is sourced from PubChem (CID 90183490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).