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

C22H28N6O2 — CID 176889143

IUPACN-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCOC1CCC(c2nc(C)cc(N3CC4(CC4)c4cnc(NC(C)=O)cc43)n2)CN1
InChIInChI=1S/C22H28N6O2/c1-13-8-19(27-21(25-13)15-4-5-20(30-3)24-10-15)28-12-22(6-7-22)16-11-23-18(9-17(16)28)26-14(2)29/h8-9,11,15,20,24H,4-7,10,12H2,1-3H3,(H,23,26,29)
InChIKeyBWDCPIBHUSZMJO-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.76
Rot. Bonds4

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

N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 176889143) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID176889143
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCOC1CCC(c2nc(C)cc(N3CC4(CC4)c4cnc(NC(C)=O)cc43)n2)CN1
InChIInChI=1S/C22H28N6O2/c1-13-8-19(27-21(25-13)15-4-5-20(30-3)24-10-15)28-12-22(6-7-22)16-11-23-18(9-17(16)28)26-14(2)29/h8-9,11,15,20,24H,4-7,10,12H2,1-3H3,(H,23,26,29)
InChIKeyBWDCPIBHUSZMJO-UHFFFAOYSA-N
XLogP2.76
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-[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-amino-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641001
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-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640717
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
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-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640641
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-[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-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 176889134
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of 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) is N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is COC1CCC(c2nc(C)cc(N3CC4(CC4)c4cnc(NC(C)=O)cc43)n2)CN1.
What is the InChIKey of N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is BWDCPIBHUSZMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-13-8-19(27-21(25-13)15-4-5-20(30-3)24-10-15)28-12-22(6-7-22)16-11-23-18(9-17(16)28)26-14(2)29/h8-9,11,15,20,24H,4-7,10,12H2,1-3H3,(H,23,26,29).
What are the key properties of N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 176889143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).