6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

C22H28F2N6O2 — CID 141364887

IUPAC6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESCc1cc(C(C)(CC2CC2)NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)n[nH]1
InChIInChI=1S/C22H28F2N6O2/c1-13-7-17(29-28-13)21(2,8-14-3-4-14)27-19(31)16-9-25-18(30-11-22(23,24)12-30)20(26-16)32-10-15-5-6-15/h7,9,14-15H,3-6,8,10-12H2,1-2H3,(H,27,31)(H,28,29)
InChIKeySYYZXNZGAQCJGF-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.20
Rot. Bonds9

About 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (PubChem CID 141364887) has the molecular formula C22H28F2N6O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
PubChem CID141364887
Molecular FormulaC22H28F2N6O2
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC Name6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESCc1cc(C(C)(CC2CC2)NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)n[nH]1
InChIInChI=1S/C22H28F2N6O2/c1-13-7-17(29-28-13)21(2,8-14-3-4-14)27-19(31)16-9-25-18(30-11-22(23,24)12-30)20(26-16)32-10-15-5-6-15/h7,9,14-15H,3-6,8,10-12H2,1-2H3,(H,27,31)(H,28,29)
InChIKeySYYZXNZGAQCJGF-UHFFFAOYSA-N
XLogP3.20
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 90203812
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-methyl-4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 71526660
N-(1-cyclopropyl-3-hydroxy-3-methylbutan-2-yl)-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 78098364
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483742
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
CID 71525851
N-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483792
ethyl 2-[[6-(cyclopropylmethoxy)-5-(3-fluoroazetidin-1-yl)pyrazine-2-carbonyl]amino]-2-ethylbutanoate
CID 146289348
methyl (2S)-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoate
CID 71087806
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl] N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]carbamate
CID 122684595
2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-4,4-dideuterio-2-ethyl-3-fluoro-3-methylbutanoic acid
CID 174202722
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl] N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347261

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (CID 141364887) is 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is Cc1cc(C(C)(CC2CC2)NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)n[nH]1.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is SYYZXNZGAQCJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N6O2/c1-13-7-17(29-28-13)21(2,8-14-3-4-14)27-19(31)16-9-25-18(30-11-22(23,24)12-30)20(26-16)32-10-15-5-6-15/h7,9,14-15H,3-6,8,10-12H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 141364887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).