N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

C18H21N5O — CID 170640641

IUPACN-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCCc1cc(N2CC3(CC3)c3cnc(NC(C)=O)cc32)nc(C)n1
InChIInChI=1S/C18H21N5O/c1-4-13-7-17(21-11(2)20-13)23-10-18(5-6-18)14-9-19-16(8-15(14)23)22-12(3)24/h7-9H,4-6,10H2,1-3H3,(H,19,22,24)
InChIKeyFZWZXGOVYKJZOM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.88
Rot. Bonds3

About N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 170640641) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID170640641
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCCc1cc(N2CC3(CC3)c3cnc(NC(C)=O)cc32)nc(C)n1
InChIInChI=1S/C18H21N5O/c1-4-13-7-17(21-11(2)20-13)23-10-18(5-6-18)14-9-19-16(8-15(14)23)22-12(3)24/h7-9H,4-6,10H2,1-3H3,(H,19,22,24)
InChIKeyFZWZXGOVYKJZOM-UHFFFAOYSA-N
XLogP2.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 170640641) is N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is CCc1cc(N2CC3(CC3)c3cnc(NC(C)=O)cc32)nc(C)n1.
What is the InChIKey of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is FZWZXGOVYKJZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-13-7-17(21-11(2)20-13)23-10-18(5-6-18)14-9-19-16(8-15(14)23)22-12(3)24/h7-9H,4-6,10H2,1-3H3,(H,19,22,24).
What are the key properties of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 170640641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).