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

C23H25F2N5O3 — CID 135349293

IUPACN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(C)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H25F2N5O3/c1-14-10-19(27-22(31)17-13-29(2)28-23(17)32-3)21(26-12-14)30-8-6-16(7-9-30)33-20-5-4-15(24)11-18(20)25/h4-5,10-13,16H,6-9H2,1-3H3,(H,27,31)
InChIKeyJOSREYSUAGVAIK-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.71
Rot. Bonds6

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

N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 135349293) has the molecular formula C23H25F2N5O3 and a molecular weight of 457.48 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID135349293
Molecular FormulaC23H25F2N5O3
Molecular Weight457.48 g/mol
Exact Mass457.19
IUPAC NameN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(C)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H25F2N5O3/c1-14-10-19(27-22(31)17-13-29(2)28-23(17)32-3)21(26-12-14)30-8-6-16(7-9-30)33-20-5-4-15(24)11-18(20)25/h4-5,10-13,16H,6-9H2,1-3H3,(H,27,31)
InChIKeyJOSREYSUAGVAIK-UHFFFAOYSA-N
XLogP3.71
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 135349293) is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cc(C)cnc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is JOSREYSUAGVAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3/c1-14-10-19(27-22(31)17-13-29(2)28-23(17)32-3)21(26-12-14)30-8-6-16(7-9-30)33-20-5-4-15(24)11-18(20)25/h4-5,10-13,16H,6-9H2,1-3H3,(H,27,31).
What are the key properties of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 457.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 135349293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).