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

C24H27F2N7O3 — CID 71279591

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN(C)C(=O)CCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21
InChIInChI=1S/C24H27F2N7O3/c1-24(2,3)30-22(35)15-11-27-21-20(15)29-16(12-28-21)19-14-10-13(36-23(25)26)6-7-17(14)33(31-19)9-8-18(34)32(4)5/h6-7,10-12,23H,8-9H2,1-5H3,(H,27,28)(H,30,35)
InChIKeyATCSDSUTIUBSLN-UHFFFAOYSA-N
MW499.52 g/mol
LogP3.58
Rot. Bonds7

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

N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279591) has the molecular formula C24H27F2N7O3 and a molecular weight of 499.52 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279591
Molecular FormulaC24H27F2N7O3
Molecular Weight499.52 g/mol
Exact Mass499.21
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN(C)C(=O)CCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21
InChIInChI=1S/C24H27F2N7O3/c1-24(2,3)30-22(35)15-11-27-21-20(15)29-16(12-28-21)19-14-10-13(36-23(25)26)6-7-17(14)33(31-19)9-8-18(34)32(4)5/h6-7,10-12,23H,8-9H2,1-5H3,(H,27,28)(H,30,35)
InChIKeyATCSDSUTIUBSLN-UHFFFAOYSA-N
XLogP3.58
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 53.58
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-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279591) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CN(C)C(=O)CCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21.
What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ATCSDSUTIUBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O3/c1-24(2,3)30-22(35)15-11-27-21-20(15)29-16(12-28-21)19-14-10-13(36-23(25)26)6-7-17(14)33(31-19)9-8-18(34)32(4)5/h6-7,10-12,23H,8-9H2,1-5H3,(H,27,28)(H,30,35).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 3.58, 7 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-[3-(dimethylamino)-3-oxopropyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).