6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine

C16H16ClF2N5 — CID 170640948

IUPAC6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CC3(CC3)c3cnc(Cl)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C16H16ClF2N5/c1-15(18,19)14-22-12(20-2)6-13(23-14)24-8-16(3-4-16)9-7-21-11(17)5-10(9)24/h5-7H,3-4,8H2,1-2H3,(H,20,22,23)
InChIKeyLCYDPNZHIUFETJ-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.86
Rot. Bonds3

About 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine

6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine (PubChem CID 170640948) has the molecular formula C16H16ClF2N5 and a molecular weight of 351.79 g/mol. Its IUPAC name is 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine
PubChem CID170640948
Molecular FormulaC16H16ClF2N5
Molecular Weight351.79 g/mol
Exact Mass351.11
IUPAC Name6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CC3(CC3)c3cnc(Cl)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C16H16ClF2N5/c1-15(18,19)14-22-12(20-2)6-13(23-14)24-8-16(3-4-16)9-7-21-11(17)5-10(9)24/h5-7H,3-4,8H2,1-2H3,(H,20,22,23)
InChIKeyLCYDPNZHIUFETJ-UHFFFAOYSA-N
XLogP3.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine 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

[6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)pyrimidin-4-yl]methanol
CID 170640951
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-(propan-2-ylamino)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640611
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-(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-difluoro-2-methoxyethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
CID 170640730
6-chloro-1-[2-(1,1-difluoroethyl)-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
CID 176889144
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-(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-[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
6-chloro-1-[6-(oxetan-3-yl)-2-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]
CID 170640609

Frequently Asked Questions

What is the IUPAC name of 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine (CID 170640948) is 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine is CNc1cc(N2CC3(CC3)c3cnc(Cl)cc32)nc(C(C)(F)F)n1.
What is the InChIKey of 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine?
The InChIKey is LCYDPNZHIUFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5/c1-15(18,19)14-22-12(20-2)6-13(23-14)24-8-16(3-4-16)9-7-21-11(17)5-10(9)24/h5-7H,3-4,8H2,1-2H3,(H,20,22,23).
What are the key properties of 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine?
6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine has a molecular weight of 351.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chlorospiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-1-yl)-2-(1,1-difluoroethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 170640948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).