N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17F2N7O3 — CID 135200217

IUPACN-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)NCCO2)C1=C2N=CC=CN2NC1
InChIInChI=1S/C19H17F2N7O3/c20-19(21)31-14-7-12-15(30-5-3-22-12)6-10(14)16-13(9-24-27-16)26-18(29)11-8-25-28-4-1-2-23-17(11)28/h1-2,4,6-7,9,19,22,25H,3,5,8H2,(H,24,27)(H,26,29)
InChIKeyAHVPMMCFZCRYRJ-UHFFFAOYSA-N
MW429.39 g/mol
LogP2.05
Rot. Bonds5

About N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135200217) has the molecular formula C19H17F2N7O3 and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135200217
Molecular FormulaC19H17F2N7O3
Molecular Weight429.39 g/mol
Exact Mass429.14
IUPAC NameN-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)NCCO2)C1=C2N=CC=CN2NC1
InChIInChI=1S/C19H17F2N7O3/c20-19(21)31-14-7-12-15(30-5-3-22-12)6-10(14)16-13(9-24-27-16)26-18(29)11-8-25-28-4-1-2-23-17(11)28/h1-2,4,6-7,9,19,22,25H,3,5,8H2,(H,24,27)(H,26,29)
InChIKeyAHVPMMCFZCRYRJ-UHFFFAOYSA-N
XLogP2.05
TPSA115.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200234
N-[4-(difluoromethoxy)-5-ethyl-2-morpholin-4-ylphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338747
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-5-methoxy-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167113859
N-[5-[5-(difluoromethoxy)-2,3-dihydro-1-benzofuran-6-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135200233
N-[5-[(3S)-6-(difluoromethoxy)-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146236200
N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazin-7-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135197205
N-[5-[6-(difluoromethoxy)-1-benzothiophen-5-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158298229
N-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1-[(2R)-2-(hydroxymethyl)butyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146254907
methyl 4-[[1-[2-[3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-4-(1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 139421420
N-[3-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1-[(3-methyltriazol-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146236199
N-[4-(3-hydroxypropylcarbamoyl)-2-methoxyphenyl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146786721
2-amino-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961998

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135200217) is N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc2c(cc1OC(F)F)NCCO2)C1=C2N=CC=CN2NC1.
What is the InChIKey of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AHVPMMCFZCRYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O3/c20-19(21)31-14-7-12-15(30-5-3-22-12)6-10(14)16-13(9-24-27-16)26-18(29)11-8-25-28-4-1-2-23-17(11)28/h1-2,4,6-7,9,19,22,25H,3,5,8H2,(H,24,27)(H,26,29).
What are the key properties of N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]-1H-pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135200217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).