1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol

C18H25F2N3O3 — CID 130312698

IUPAC1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
InChIInChI=1S/C18H25F2N3O3/c1-17(25)6-7-22(9-17)16(24)13-4-5-14(23-10-18(19,20)11-23)15(21-13)26-8-12-2-3-12/h4-5,12,16,24-25H,2-3,6-11H2,1H3
InChIKeyMFQOCYPPLLMEKQ-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.77
Rot. Bonds6

About 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol

1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol (PubChem CID 130312698) has the molecular formula C18H25F2N3O3 and a molecular weight of 369.41 g/mol. Its IUPAC name is 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol
PubChem CID130312698
Molecular FormulaC18H25F2N3O3
Molecular Weight369.41 g/mol
Exact Mass369.19
IUPAC Name1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(C(O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1
InChIInChI=1S/C18H25F2N3O3/c1-17(25)6-7-22(9-17)16(24)13-4-5-14(23-10-18(19,20)11-23)15(21-13)26-8-12-2-3-12/h4-5,12,16,24-25H,2-3,6-11H2,1H3
InChIKeyMFQOCYPPLLMEKQ-UHFFFAOYSA-N
XLogP1.77
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol with MolForge

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Related Compounds

2-[[[6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-hydroxymethyl]amino]-2,4-dimethylpentan-1-ol
CID 163750072
2-(cyclopropylmethoxy)-3-(3,3-difluoroazetidin-1-yl)pyridine
CID 141352093
methyl (2S)-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 71087806
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 71105626
N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 90204589
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 130312677
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 123443174
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-2-[(3-methyl-1-pyrimidin-2-ylbutyl)amino]ethanone
CID 163807528
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 162622488

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol (CID 130312698) is 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(C(O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1.
What is the InChIKey of 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol?
The InChIKey is MFQOCYPPLLMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O3/c1-17(25)6-7-22(9-17)16(24)13-4-5-14(23-10-18(19,20)11-23)15(21-13)26-8-12-2-3-12/h4-5,12,16,24-25H,2-3,6-11H2,1H3.
What are the key properties of 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol?
1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol has a molecular weight of 369.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-hydroxymethyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 130312698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).