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

C21H23F2N5O2 — CID 170640981

IUPACN-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C2CCOC2)nc(C(C)(F)F)n1
InChIInChI=1S/C21H23F2N5O2/c1-12(29)25-17-8-16-14(9-24-17)21(4-5-21)11-28(16)18-7-15(13-3-6-30-10-13)26-19(27-18)20(2,22)23/h7-9,13H,3-6,10-11H2,1-2H3,(H,24,25,29)
InChIKeyJPDLMATYQMTTDY-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.63
Rot. Bonds4

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

N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 170640981) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID170640981
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC NameN-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C2CCOC2)nc(C(C)(F)F)n1
InChIInChI=1S/C21H23F2N5O2/c1-12(29)25-17-8-16-14(9-24-17)21(4-5-21)11-28(16)18-7-15(13-3-6-30-10-13)26-19(27-18)20(2,22)23/h7-9,13H,3-6,10-11H2,1-2H3,(H,24,25,29)
InChIKeyJPDLMATYQMTTDY-UHFFFAOYSA-N
XLogP3.63
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide with MolForge

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Related Compounds

N-[1-[6-(3-cyanocyclobutyl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640746
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-[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
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
6-chloro-1-[2-(1,1-difluoroethyl)-6-(oxetan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
CID 170640826
N-[1-[2-(1,1-difluoroethyl)-6-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641033
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-(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-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-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640717
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640641

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 170640981) is N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C2CCOC2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is JPDLMATYQMTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-12(29)25-17-8-16-14(9-24-17)21(4-5-21)11-28(16)18-7-15(13-3-6-30-10-13)26-19(27-18)20(2,22)23/h7-9,13H,3-6,10-11H2,1-2H3,(H,24,25,29).
What are the key properties of N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-[2-(1,1-difluoroethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 415.44 g/mol, XLogP of 3.63, 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-(oxolan-3-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 170640981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).