2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C24H29F4N5O2S — CID 156735115

IUPAC2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1
InChIInChI=1S/C24H29F4N5O2S/c25-16-8-19(26)20(29-10-16)11-30-22(34)21-12-31-23(36-21)32-6-3-17(4-7-32)33-5-1-2-18(13-33)35-14-15-9-24(15,27)28/h8,10,12,15,17-18H,1-7,9,11,13-14H2,(H,30,34)
InChIKeyYAJMPZFDYPOFQB-UHFFFAOYSA-N
MW527.59 g/mol
LogP3.85
Rot. Bonds8

About 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 156735115) has the molecular formula C24H29F4N5O2S and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID156735115
Molecular FormulaC24H29F4N5O2S
Molecular Weight527.59 g/mol
Exact Mass527.20
IUPAC Name2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1
InChIInChI=1S/C24H29F4N5O2S/c25-16-8-19(26)20(29-10-16)11-30-22(34)21-12-31-23(36-21)32-6-3-17(4-7-32)33-5-1-2-18(13-33)35-14-15-9-24(15,27)28/h8,10,12,15,17-18H,1-7,9,11,13-14H2,(H,30,34)
InChIKeyYAJMPZFDYPOFQB-UHFFFAOYSA-N
XLogP3.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.59
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735109
2-[4-(5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735161
2-[4-[3-(cyclobutylmethoxy)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735188
US20240000767, Example 134
CID 156735003
US20240000767, Example 103
CID 156735053
US20240000767, Example 130
CID 156735061
US20240000767, Example 133
CID 156735066
US20240000767, Example 69
CID 156735067
US20240000767, Example 65
CID 156735073
US20240000767, Example 109
CID 156735183
US12540134, Example 127
CID 156735214
US20240000767, Example 59
CID 156735224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 156735115) is 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ncc(F)cc1F)c1cnc(N2CCC(N3CCCC(OCC4CC4(F)F)C3)CC2)s1.
What is the InChIKey of 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YAJMPZFDYPOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F4N5O2S/c25-16-8-19(26)20(29-10-16)11-30-22(34)21-12-31-23(36-21)32-6-3-17(4-7-32)33-5-1-2-18(13-33)35-14-15-9-24(15,27)28/h8,10,12,15,17-18H,1-7,9,11,13-14H2,(H,30,34).
What are the key properties of 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 527.59 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).