2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide

C26H27FN6O2 — CID 118887137

IUPAC2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1
InChIInChI=1S/C26H27FN6O2/c1-16-4-5-18(30-25(34)17-6-8-28-21(14-17)26(2,3)27)15-19(16)23-31-20-7-9-29-22(20)24(32-23)33-10-12-35-13-11-33/h4-9,14-15,29H,10-13H2,1-3H3,(H,30,34)
InChIKeyRIZDFRHLEUIELM-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.62
Rot. Bonds5

About 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide

2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide (PubChem CID 118887137) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide
PubChem CID118887137
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1
InChIInChI=1S/C26H27FN6O2/c1-16-4-5-18(30-25(34)17-6-8-28-21(14-17)26(2,3)27)15-19(16)23-31-20-7-9-29-22(20)24(32-23)33-10-12-35-13-11-33/h4-9,14-15,29H,10-13H2,1-3H3,(H,30,34)
InChIKeyRIZDFRHLEUIELM-UHFFFAOYSA-N
XLogP4.62
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide (CID 118887137) is 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is RIZDFRHLEUIELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-16-4-5-18(30-25(34)17-6-8-28-21(14-17)26(2,3)27)15-19(16)23-31-20-7-9-29-22(20)24(32-23)33-10-12-35-13-11-33/h4-9,14-15,29H,10-13H2,1-3H3,(H,30,34).
What are the key properties of 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 118887137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).