N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide

C24H24F2N6O3 — CID 151332354

IUPACN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide
SMILESCCOc1c(C(=O)Nc2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)cnn1C
InChIInChI=1S/C24H24F2N6O3/c1-3-34-24-18(14-29-31(24)2)23(33)30-20-10-15(12-27)13-28-22(20)32-8-6-17(7-9-32)35-21-5-4-16(25)11-19(21)26/h4-5,10-11,13-14,17H,3,6-9H2,1-2H3,(H,30,33)
InChIKeyOISJZZMHILMWNI-UHFFFAOYSA-N
MW482.49 g/mol
LogP3.66
Rot. Bonds7

About N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide

N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide (PubChem CID 151332354) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide
PubChem CID151332354
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC NameN-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide
SMILESCCOc1c(C(=O)Nc2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)cnn1C
InChIInChI=1S/C24H24F2N6O3/c1-3-34-24-18(14-29-31(24)2)23(33)30-20-10-15(12-27)13-28-22(20)32-8-6-17(7-9-32)35-21-5-4-16(25)11-19(21)26/h4-5,10-11,13-14,17H,3,6-9H2,1-2H3,(H,30,33)
InChIKeyOISJZZMHILMWNI-UHFFFAOYSA-N
XLogP3.66
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide (CID 151332354) is N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide is CCOc1c(C(=O)Nc2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)cnn1C.
What is the InChIKey of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is OISJZZMHILMWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-3-34-24-18(14-29-31(24)2)23(33)30-20-10-15(12-27)13-28-22(20)32-8-6-17(7-9-32)35-21-5-4-16(25)11-19(21)26/h4-5,10-11,13-14,17H,3,6-9H2,1-2H3,(H,30,33).
What are the key properties of N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide?
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-ethoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 151332354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).