N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide

C26H25F3N6O2 — CID 165390509

IUPACN-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
SMILESCc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCc4ccn(C)n4)c2C(F)(F)F)CC32CCC2)nc1
InChIInChI=1S/C26H25F3N6O2/c1-15-4-5-17(30-11-15)13-35-14-18-22(33-35)20-19(10-25(18)7-3-8-25)37-23(21(20)26(27,28)29)24(36)31-12-16-6-9-34(2)32-16/h4-6,9,11,14H,3,7-8,10,12-13H2,1-2H3,(H,31,36)
InChIKeyWGKQTDXNQPOLJF-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.55
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide

N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide (PubChem CID 165390509) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
PubChem CID165390509
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
SMILESCc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCc4ccn(C)n4)c2C(F)(F)F)CC32CCC2)nc1
InChIInChI=1S/C26H25F3N6O2/c1-15-4-5-17(30-11-15)13-35-14-18-22(33-35)20-19(10-25(18)7-3-8-25)37-23(21(20)26(27,28)29)24(36)31-12-16-6-9-34(2)32-16/h4-6,9,11,14H,3,7-8,10,12-13H2,1-2H3,(H,31,36)
InChIKeyWGKQTDXNQPOLJF-UHFFFAOYSA-N
XLogP4.55
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide (CID 165390509) is N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide is Cc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCc4ccn(C)n4)c2C(F)(F)F)CC32CCC2)nc1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
The InChIKey is WGKQTDXNQPOLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2/c1-15-4-5-17(30-11-15)13-35-14-18-22(33-35)20-19(10-25(18)7-3-8-25)37-23(21(20)26(27,28)29)24(36)31-12-16-6-9-34(2)32-16/h4-6,9,11,14H,3,7-8,10,12-13H2,1-2H3,(H,31,36).
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide?
N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide has a molecular weight of 510.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-2-[(5-methyl-2-pyridinyl)methyl]-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 165390509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).