N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

C16H15F2N5O2 — CID 170577490

IUPACN-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCOc1cc(-n2ccc3cnc(NC(C)=O)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C16H15F2N5O2/c1-9(24)20-12-6-11-10(8-19-12)4-5-23(11)13-7-14(25-3)22-15(21-13)16(2,17)18/h4-8H,1-3H3,(H,19,20,24)
InChIKeyLMDABYDEVXEOOH-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.89
Rot. Bonds4

About N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (PubChem CID 170577490) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
PubChem CID170577490
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCOc1cc(-n2ccc3cnc(NC(C)=O)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C16H15F2N5O2/c1-9(24)20-12-6-11-10(8-19-12)4-5-23(11)13-7-14(25-3)22-15(21-13)16(2,17)18/h4-8H,1-3H3,(H,19,20,24)
InChIKeyLMDABYDEVXEOOH-UHFFFAOYSA-N
XLogP2.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-(3-cyanofuran-2-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170577470
N-[3-cyclopropyl-1-[2-(2-fluoropropan-2-yl)-6-methoxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577794
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577651
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[1-[2-(1,1-difluoroethyl)-6-(3-methoxycyclobutyl)oxypyrimidin-4-yl]-3-ethylpyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 177282298
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351719
N-[3-cyclopropyl-1-[2-(1,1-difluoroethyl)-6-[(3-methoxycyclobutyl)methoxy]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577207
N-[1-[2-(1,1-difluoroethyl)-6-(4,4-difluorooxolan-3-yl)oxypyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577159
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-[2-methoxyethyl(methyl)amino]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576964
N-[1-[2-(1,1-difluoroethyl)-6-(1-methylpyrazol-3-yl)oxypyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640816
N-[1-[2-(1,1-difluoroethyl)-6-(oxetan-3-ylamino)pyrimidin-4-yl]-3-ethylpyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170576817
N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730760

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (CID 170577490) is N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is COc1cc(-n2ccc3cnc(NC(C)=O)cc32)nc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The InChIKey is LMDABYDEVXEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-9(24)20-12-6-11-10(8-19-12)4-5-23(11)13-7-14(25-3)22-15(21-13)16(2,17)18/h4-8H,1-3H3,(H,19,20,24).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide has a molecular weight of 347.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).