2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide

C27H33F2N3O3 — CID 162569540

IUPAC2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide
SMILESCC(C(=O)NC1CC1C)c1ccc(OCC2CCN(c3ccc(OCC4CC4(F)F)cn3)C2)cc1
InChIInChI=1S/C27H33F2N3O3/c1-17-11-24(17)31-26(33)18(2)20-3-5-22(6-4-20)34-15-19-9-10-32(14-19)25-8-7-23(13-30-25)35-16-21-12-27(21,28)29/h3-8,13,17-19,21,24H,9-12,14-16H2,1-2H3,(H,31,33)
InChIKeyHUKKQSZVQQVKIE-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.65
Rot. Bonds10

About 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide

2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide (PubChem CID 162569540) has the molecular formula C27H33F2N3O3 and a molecular weight of 485.58 g/mol. Its IUPAC name is 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide
PubChem CID162569540
Molecular FormulaC27H33F2N3O3
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide
SMILESCC(C(=O)NC1CC1C)c1ccc(OCC2CCN(c3ccc(OCC4CC4(F)F)cn3)C2)cc1
InChIInChI=1S/C27H33F2N3O3/c1-17-11-24(17)31-26(33)18(2)20-3-5-22(6-4-20)34-15-19-9-10-32(14-19)25-8-7-23(13-30-25)35-16-21-12-27(21,28)29/h3-8,13,17-19,21,24H,9-12,14-16H2,1-2H3,(H,31,33)
InChIKeyHUKKQSZVQQVKIE-UHFFFAOYSA-N
XLogP4.65
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-2-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 118919530
2-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-N-(1-hydroxypropan-2-yl)propanamide
CID 123785613
N-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2,2-difluoroacetamide
CID 91668778
1-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-3-methylurea
CID 91668860
N-[(1S)-1-[4-[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
CID 90315502
N-[(1S)-1-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 163549545
4-acetamido-N-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]piperidine-1-carboxamide
CID 91668851
2-[(1S)-1-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 140658353
(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethanamine;(4R)-4-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]-1-(1,2-oxazol-3-yl)pentan-2-one
CID 160977904
2-amino-N-[1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propyl]-1,3-oxazole-5-carboxamide
CID 123687631
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
2-[4-[[1-[5-chloro-6-(2-hydroxy-2-methylpropoxy)pyrimidin-4-yl]pyrrolidin-3-yl]methoxy]phenyl]-N-cyclopropylpropanamide
CID 154008269

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide?
The IUPAC name of 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide (CID 162569540) is 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide.
What is the SMILES notation for 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide?
The canonical SMILES for 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide is CC(C(=O)NC1CC1C)c1ccc(OCC2CCN(c3ccc(OCC4CC4(F)F)cn3)C2)cc1.
What is the InChIKey of 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide?
The InChIKey is HUKKQSZVQQVKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O3/c1-17-11-24(17)31-26(33)18(2)20-3-5-22(6-4-20)34-15-19-9-10-32(14-19)25-8-7-23(13-30-25)35-16-21-12-27(21,28)29/h3-8,13,17-19,21,24H,9-12,14-16H2,1-2H3,(H,31,33).
What are the key properties of 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide?
2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide has a molecular weight of 485.58 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]methoxy]phenyl]-N-(2-methylcyclopropyl)propanamide is sourced from PubChem (CID 162569540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).