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

C24H29F2N7O2 — CID 71280416

IUPACN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21
InChIInChI=1S/C24H29F2N7O2/c1-24(2,3)30-22(34)16-12-27-21-20(16)29-17(13-28-21)19-15-11-14(35-23(25)26)7-8-18(15)33(31-19)10-6-9-32(4)5/h7-8,11-13,23H,6,9-10H2,1-5H3,(H,27,28)(H,30,34)
InChIKeyDEIUHXGBXURZNU-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.06
Rot. Bonds8

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

N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280416) has the molecular formula C24H29F2N7O2 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280416
Molecular FormulaC24H29F2N7O2
Molecular Weight485.54 g/mol
Exact Mass485.24
IUPAC NameN-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21
InChIInChI=1S/C24H29F2N7O2/c1-24(2,3)30-22(34)16-12-27-21-20(16)29-17(13-28-21)19-15-11-14(35-23(25)26)7-8-18(15)33(31-19)10-6-9-32(4)5/h7-8,11-13,23H,6,9-10H2,1-5H3,(H,27,28)(H,30,34)
InChIKeyDEIUHXGBXURZNU-UHFFFAOYSA-N
XLogP4.06
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.06
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)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280416) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]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)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CN(C)CCCn1nc(-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)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DEIUHXGBXURZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N7O2/c1-24(2,3)30-22(34)16-12-27-21-20(16)29-17(13-28-21)19-15-11-14(35-23(25)26)7-8-18(15)33(31-19)10-6-9-32(4)5/h7-8,11-13,23H,6,9-10H2,1-5H3,(H,27,28)(H,30,34).
What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[5-(difluoromethoxy)-1-[3-(dimethylamino)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.06, 8 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)propyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).