N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C27H29F3N6O2 — CID 134436036

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(C)(NC(=O)C4(C(F)(F)F)CCC4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H29F3N6O2/c1-3-38-20-13-21(23-19(14-31)16-33-36(23)17-20)18-5-6-22(32-15-18)35-11-9-25(2,10-12-35)34-24(37)26(7-4-8-26)27(28,29)30/h5-6,13,15-17H,3-4,7-12H2,1-2H3,(H,34,37)
InChIKeyKAKIYIPOPYABRD-UHFFFAOYSA-N
MW526.56 g/mol
LogP4.87
Rot. Bonds6

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 134436036) has the molecular formula C27H29F3N6O2 and a molecular weight of 526.56 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID134436036
Molecular FormulaC27H29F3N6O2
Molecular Weight526.56 g/mol
Exact Mass526.23
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(C)(NC(=O)C4(C(F)(F)F)CCC4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H29F3N6O2/c1-3-38-20-13-21(23-19(14-31)16-33-36(23)17-20)18-5-6-22(32-15-18)35-11-9-25(2,10-12-35)34-24(37)26(7-4-8-26)27(28,29)30/h5-6,13,15-17H,3-4,7-12H2,1-2H3,(H,34,37)
InChIKeyKAKIYIPOPYABRD-UHFFFAOYSA-N
XLogP4.87
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 134436036) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is CCOc1cc(-c2ccc(N3CCC(C)(NC(=O)C4(C(F)(F)F)CCC4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is KAKIYIPOPYABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O2/c1-3-38-20-13-21(23-19(14-31)16-33-36(23)17-20)18-5-6-22(32-15-18)35-11-9-25(2,10-12-35)34-24(37)26(7-4-8-26)27(28,29)30/h5-6,13,15-17H,3-4,7-12H2,1-2H3,(H,34,37).
What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 526.56 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134436036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).