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

C21H21F2N7O2 — CID 170640816

IUPACN-[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
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(Oc2ccn(C)n2)nc(C(C)(F)F)n1
InChIInChI=1S/C21H21F2N7O2/c1-12(31)25-15-8-14-13(10-24-15)21(5-6-21)11-30(14)16-9-18(27-19(26-16)20(2,22)23)32-17-4-7-29(3)28-17/h4,7-10H,5-6,11H2,1-3H3,(H,24,25,31)
InChIKeyLPUBYRJZXLGJIM-UHFFFAOYSA-N
MW441.44 g/mol
LogP3.65
Rot. Bonds5

About 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

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 (PubChem CID 170640816) has the molecular formula C21H21F2N7O2 and a molecular weight of 441.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170640816
Molecular FormulaC21H21F2N7O2
Molecular Weight441.44 g/mol
Exact Mass441.17
IUPAC NameN-[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
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(Oc2ccn(C)n2)nc(C(C)(F)F)n1
InChIInChI=1S/C21H21F2N7O2/c1-12(31)25-15-8-14-13(10-24-15)21(5-6-21)11-30(14)16-9-18(27-19(26-16)20(2,22)23)32-17-4-7-29(3)28-17/h4,7-10H,5-6,11H2,1-3H3,(H,24,25,31)
InChIKeyLPUBYRJZXLGJIM-UHFFFAOYSA-N
XLogP3.65
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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-(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
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
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-(6-amino-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641001
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
6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine
CID 170640948
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(Oc2ccn(C)n2)nc(C(C)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is LPUBYRJZXLGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O2/c1-12(31)25-15-8-14-13(10-24-15)21(5-6-21)11-30(14)16-9-18(27-19(26-16)20(2,22)23)32-17-4-7-29(3)28-17/h4,7-10H,5-6,11H2,1-3H3,(H,24,25,31).
What are the key properties of 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?
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 has a molecular weight of 441.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170640816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).