1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide

C25H20F2N8O3 — CID 50902279

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide
SMILESNC(=O)c1ccc2c(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)nn(Cc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C25H20F2N8O3/c26-25(27)38-18-8-3-15(4-9-18)13-35-20-11-17(22(28)36)7-10-19(20)21(32-35)24(37)29-12-14-1-5-16(6-2-14)23-30-33-34-31-23/h1-11,25H,12-13H2,(H2,28,36)(H,29,37)(H,30,31,33,34)
InChIKeyQQRYJVPWXPFZEZ-UHFFFAOYSA-N
MW518.48 g/mol
LogP2.89
Rot. Bonds9

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide

1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide (PubChem CID 50902279) has the molecular formula C25H20F2N8O3 and a molecular weight of 518.48 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide
PubChem CID50902279
Molecular FormulaC25H20F2N8O3
Molecular Weight518.48 g/mol
Exact Mass518.16
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide
SMILESNC(=O)c1ccc2c(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)nn(Cc3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C25H20F2N8O3/c26-25(27)38-18-8-3-15(4-9-18)13-35-20-11-17(22(28)36)7-10-19(20)21(32-35)24(37)29-12-14-1-5-16(6-2-14)23-30-33-34-31-23/h1-11,25H,12-13H2,(H2,28,36)(H,29,37)(H,30,31,33,34)
InChIKeyQQRYJVPWXPFZEZ-UHFFFAOYSA-N
XLogP2.89
TPSA153.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
CID 141202072
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984504
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984505
6-N-[[3-(difluoromethoxy)phenyl]methyl]-4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine-4,6-dicarboxamide
CID 25005748
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488
1-tert-butyl-3-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 46491652
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide (CID 50902279) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide is NC(=O)c1ccc2c(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)nn(Cc3ccc(OC(F)F)cc3)c2c1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide?
The InChIKey is QQRYJVPWXPFZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N8O3/c26-25(27)38-18-8-3-15(4-9-18)13-35-20-11-17(22(28)36)7-10-19(20)21(32-35)24(37)29-12-14-1-5-16(6-2-14)23-30-33-34-31-23/h1-11,25H,12-13H2,(H2,28,36)(H,29,37)(H,30,31,33,34).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide has a molecular weight of 518.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide is sourced from PubChem (CID 50902279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).