5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide

C23H21ClFN5O3S — CID 168885375

IUPAC5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCOc1cc2c(cn1)nc(-c1ccccc1F)n2[C@H]1CC(NC(=O)c2ncc(Cl)s2)C[C@H](O)C1
InChIInChI=1S/C23H21ClFN5O3S/c1-33-20-9-18-17(10-26-20)29-21(15-4-2-3-5-16(15)25)30(18)13-6-12(7-14(31)8-13)28-22(32)23-27-11-19(24)34-23/h2-5,9-14,31H,6-8H2,1H3,(H,28,32)/t12?,13-,14-/m0/s1
InChIKeyUFTXSBUQDDEEOL-TTZKSVMKSA-N
MW501.97 g/mol
LogP4.24
Rot. Bonds5

About 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide

5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 168885375) has the molecular formula C23H21ClFN5O3S and a molecular weight of 501.97 g/mol. Its IUPAC name is 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID168885375
Molecular FormulaC23H21ClFN5O3S
Molecular Weight501.97 g/mol
Exact Mass501.10
IUPAC Name5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCOc1cc2c(cn1)nc(-c1ccccc1F)n2[C@H]1CC(NC(=O)c2ncc(Cl)s2)C[C@H](O)C1
InChIInChI=1S/C23H21ClFN5O3S/c1-33-20-9-18-17(10-26-20)29-21(15-4-2-3-5-16(15)25)30(18)13-6-12(7-14(31)8-13)28-22(32)23-27-11-19(24)34-23/h2-5,9-14,31H,6-8H2,1H3,(H,28,32)/t12?,13-,14-/m0/s1
InChIKeyUFTXSBUQDDEEOL-TTZKSVMKSA-N
XLogP4.24
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide (CID 168885375) is 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is COc1cc2c(cn1)nc(-c1ccccc1F)n2[C@H]1CC(NC(=O)c2ncc(Cl)s2)C[C@H](O)C1.
What is the InChIKey of 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is UFTXSBUQDDEEOL-TTZKSVMKSA-N. The full InChI is InChI=1S/C23H21ClFN5O3S/c1-33-20-9-18-17(10-26-20)29-21(15-4-2-3-5-16(15)25)30(18)13-6-12(7-14(31)8-13)28-22(32)23-27-11-19(24)34-23/h2-5,9-14,31H,6-8H2,1H3,(H,28,32)/t12?,13-,14-/m0/s1.
What are the key properties of 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide?
5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 501.97 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,5S)-3-[2-(2-fluorophenyl)-6-methoxyimidazo[4,5-c]pyridin-1-yl]-5-hydroxycyclohexyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 168885375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).