N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

C19H15F3N6O2 — CID 169196048

IUPACN-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESO=CNc1cn2cc(-c3c(C(F)F)c(F)c(C(O)C4CC4)c4[nH]ncc34)ncc2n1
InChIInChI=1S/C19H15F3N6O2/c20-16-14(19(21)22)13(9-3-25-27-17(9)15(16)18(30)8-1-2-8)10-5-28-6-11(24-7-29)26-12(28)4-23-10/h3-8,18-19,30H,1-2H2,(H,24,29)(H,25,27)
InChIKeySBQIRCHNDQRLTC-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.36
Rot. Bonds6

About N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 169196048) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID169196048
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC NameN-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILESO=CNc1cn2cc(-c3c(C(F)F)c(F)c(C(O)C4CC4)c4[nH]ncc34)ncc2n1
InChIInChI=1S/C19H15F3N6O2/c20-16-14(19(21)22)13(9-3-25-27-17(9)15(16)18(30)8-1-2-8)10-5-28-6-11(24-7-29)26-12(28)4-23-10/h3-8,18-19,30H,1-2H2,(H,24,29)(H,25,27)
InChIKeySBQIRCHNDQRLTC-UHFFFAOYSA-N
XLogP3.36
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The IUPAC name of N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 169196048) is N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.
What is the SMILES notation for N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The canonical SMILES for N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is O=CNc1cn2cc(-c3c(C(F)F)c(F)c(C(O)C4CC4)c4[nH]ncc34)ncc2n1.
What is the InChIKey of N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
The InChIKey is SBQIRCHNDQRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c20-16-14(19(21)22)13(9-3-25-27-17(9)15(16)18(30)8-1-2-8)10-5-28-6-11(24-7-29)26-12(28)4-23-10/h3-8,18-19,30H,1-2H2,(H,24,29)(H,25,27).
What are the key properties of N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?
N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 416.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-[cyclopropyl(hydroxy)methyl]-5-(difluoromethyl)-6-fluoro-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 169196048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).