N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H27F2N7O2 — CID 71279693

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN1CC(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc32)C1
InChIInChI=1S/C24H27F2N7O2/c1-24(2,3)30-22(34)16-8-27-21-20(16)29-17(9-28-21)19-15-7-14(35-23(25)26)5-6-18(15)33(31-19)12-13-10-32(4)11-13/h5-9,13,23H,10-12H2,1-4H3,(H,27,28)(H,30,34)
InChIKeyWLXLHHAZRRMMDZ-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.67
Rot. Bonds6

About N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279693) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279693
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN1CC(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc32)C1
InChIInChI=1S/C24H27F2N7O2/c1-24(2,3)30-22(34)16-8-27-21-20(16)29-17(9-28-21)19-15-7-14(35-23(25)26)5-6-18(15)33(31-19)12-13-10-32(4)11-13/h5-9,13,23H,10-12H2,1-4H3,(H,27,28)(H,30,34)
InChIKeyWLXLHHAZRRMMDZ-UHFFFAOYSA-N
XLogP3.67
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279693) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CN1CC(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc32)C1.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WLXLHHAZRRMMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-24(2,3)30-22(34)16-8-27-21-20(16)29-17(9-28-21)19-15-7-14(35-23(25)26)5-6-18(15)33(31-19)12-13-10-32(4)11-13/h5-9,13,23H,10-12H2,1-4H3,(H,27,28)(H,30,34).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).