N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H22F3N5O3 — CID 90012239

IUPACN-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCn1nc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1C(F)(F)F
InChIInChI=1S/C22H22F3N5O3/c1-29-18(22(23,24)25)9-15(28-29)20(32)30-6-3-21(4-7-30)10-14(21)11-27-19(31)16-8-13-2-5-26-12-17(13)33-16/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3,(H,27,31)
InChIKeyWXWKURTUZBRCJL-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.25
Rot. Bonds4

About N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012239) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012239
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC NameN-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCn1nc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1C(F)(F)F
InChIInChI=1S/C22H22F3N5O3/c1-29-18(22(23,24)25)9-15(28-29)20(32)30-6-3-21(4-7-30)10-14(21)11-27-19(31)16-8-13-2-5-26-12-17(13)33-16/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3,(H,27,31)
InChIKeyWXWKURTUZBRCJL-UHFFFAOYSA-N
XLogP3.25
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012239) is N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cn1nc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1C(F)(F)F.
What is the InChIKey of N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is WXWKURTUZBRCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-29-18(22(23,24)25)9-15(28-29)20(32)30-6-3-21(4-7-30)10-14(21)11-27-19(31)16-8-13-2-5-26-12-17(13)33-16/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3,(H,27,31).
What are the key properties of N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).