N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H22F3N5O3 — CID 90012240

IUPACN-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1c(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n[nH]c1C(F)(F)F
InChIInChI=1S/C22H22F3N5O3/c1-12-17(28-29-18(12)22(23,24)25)20(32)30-6-3-21(4-7-30)9-14(21)10-27-19(31)15-8-13-2-5-26-11-16(13)33-15/h2,5,8,11,14H,3-4,6-7,9-10H2,1H3,(H,27,31)(H,28,29)
InChIKeyJWFIUGSBZCMUMO-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.55
Rot. Bonds4

About N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012240) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012240
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC NameN-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCc1c(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n[nH]c1C(F)(F)F
InChIInChI=1S/C22H22F3N5O3/c1-12-17(28-29-18(12)22(23,24)25)20(32)30-6-3-21(4-7-30)9-14(21)10-27-19(31)15-8-13-2-5-26-11-16(13)33-15/h2,5,8,11,14H,3-4,6-7,9-10H2,1H3,(H,27,31)(H,28,29)
InChIKeyJWFIUGSBZCMUMO-UHFFFAOYSA-N
XLogP3.55
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012240) is N-[[6-[4-methyl-5-(trifluoromethyl)-1H-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-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is Cc1c(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)n[nH]c1C(F)(F)F.
What is the InChIKey of N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is JWFIUGSBZCMUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-12-17(28-29-18(12)22(23,24)25)20(32)30-6-3-21(4-7-30)9-14(21)10-27-19(31)15-8-13-2-5-26-11-16(13)33-15/h2,5,8,11,14H,3-4,6-7,9-10H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[6-[4-methyl-5-(trifluoromethyl)-1H-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 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).