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

C19H23N5O3S — CID 170640865

IUPACN-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(CCS(C)(=O)=O)n1
InChIInChI=1S/C19H23N5O3S/c1-12-8-18(23-16(21-12)4-7-28(3,26)27)24-11-19(5-6-19)14-10-20-17(9-15(14)24)22-13(2)25/h8-10H,4-7,11H2,1-3H3,(H,20,22,25)
InChIKeyRELPWKIEMHAMMY-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.91
Rot. Bonds5

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

N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 170640865) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID170640865
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(CCS(C)(=O)=O)n1
InChIInChI=1S/C19H23N5O3S/c1-12-8-18(23-16(21-12)4-7-28(3,26)27)24-11-19(5-6-19)14-10-20-17(9-15(14)24)22-13(2)25/h8-10H,4-7,11H2,1-3H3,(H,20,22,25)
InChIKeyRELPWKIEMHAMMY-UHFFFAOYSA-N
XLogP1.91
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[6-methyl-2-(2-methylcyclopropyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641079
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640887
N-[1-(6-amino-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641001
N-[1-[6-methyl-2-(2-methylazetidin-1-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640655
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640641
N-[1-[2-[3-cyano-3-(difluoromethyl)azetidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641123
N-[1-[2-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640991
N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640728
N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 176889143
N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640717
N-[1-[6-(cyclopropylmethylamino)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641070
N-[1-[2-(1,1-difluoroethyl)-6-(propan-2-ylamino)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640611

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 170640865) is N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(CCS(C)(=O)=O)n1.
What is the InChIKey of N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is RELPWKIEMHAMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-12-8-18(23-16(21-12)4-7-28(3,26)27)24-11-19(5-6-19)14-10-20-17(9-15(14)24)22-13(2)25/h8-10H,4-7,11H2,1-3H3,(H,20,22,25).
What are the key properties of N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 170640865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).