4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide

C23H23N5OS — CID 11690232

IUPAC4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1
InChIInChI=1S/C23H23N5OS/c29-22(27-11-15-6-8-24-9-7-15)23-28-20(14-30-23)19-13-26-21-18(19)10-17(12-25-21)16-4-2-1-3-5-16/h1-5,10,12-15,24H,6-9,11H2,(H,25,26)(H,27,29)
InChIKeyQWCAEODKNNDVBK-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.08
Rot. Bonds5

About 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide

4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide (PubChem CID 11690232) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide
PubChem CID11690232
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1
InChIInChI=1S/C23H23N5OS/c29-22(27-11-15-6-8-24-9-7-15)23-28-20(14-30-23)19-13-26-21-18(19)10-17(12-25-21)16-4-2-1-3-5-16/h1-5,10,12-15,24H,6-9,11H2,(H,25,26)(H,27,29)
InChIKeyQWCAEODKNNDVBK-UHFFFAOYSA-N
XLogP4.08
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide (CID 11690232) is 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide is O=C(NCC1CCNCC1)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.
What is the InChIKey of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is QWCAEODKNNDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c29-22(27-11-15-6-8-24-9-7-15)23-28-20(14-30-23)19-13-26-21-18(19)10-17(12-25-21)16-4-2-1-3-5-16/h1-5,10,12-15,24H,6-9,11H2,(H,25,26)(H,27,29).
What are the key properties of 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide?
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(piperidin-4-ylmethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 11690232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).