4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C22H34F2N6O2 — CID 143263713

IUPAC4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3[nH]ncc3NC(=O)C3C(F)CCCC3F)CC2)CC1
InChIInChI=1S/C22H34F2N6O2/c1-29-9-7-15(8-10-29)30-11-5-14(6-12-30)26-22(32)20-18(13-25-28-20)27-21(31)19-16(23)3-2-4-17(19)24/h13-17,19H,2-12H2,1H3,(H,25,28)(H,26,32)(H,27,31)
InChIKeyJPEFISOIFXETSD-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.11
Rot. Bonds5

About 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 143263713) has the molecular formula C22H34F2N6O2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID143263713
Molecular FormulaC22H34F2N6O2
Molecular Weight452.55 g/mol
Exact Mass452.27
IUPAC Name4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3[nH]ncc3NC(=O)C3C(F)CCCC3F)CC2)CC1
InChIInChI=1S/C22H34F2N6O2/c1-29-9-7-15(8-10-29)30-11-5-14(6-12-30)26-22(32)20-18(13-25-28-20)27-21(31)19-16(23)3-2-4-17(19)24/h13-17,19H,2-12H2,1H3,(H,25,28)(H,26,32)(H,27,31)
InChIKeyJPEFISOIFXETSD-UHFFFAOYSA-N
XLogP2.11
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 143263713) is 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is CN1CCC(N2CCC(NC(=O)c3[nH]ncc3NC(=O)C3C(F)CCCC3F)CC2)CC1.
What is the InChIKey of 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is JPEFISOIFXETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F2N6O2/c1-29-9-7-15(8-10-29)30-11-5-14(6-12-30)26-22(32)20-18(13-25-28-20)27-21(31)19-16(23)3-2-4-17(19)24/h13-17,19H,2-12H2,1H3,(H,25,28)(H,26,32)(H,27,31).
What are the key properties of 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorocyclohexanecarbonyl)amino]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).