2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H29N7O3S — CID 164547704

IUPAC2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCC[C@@H]4C)cnc3C)c2s1
InChIInChI=1S/C26H29N7O3S/c1-16-6-5-10-32(16)11-9-27-23(34)18-12-21(17(2)29-13-18)31-24(35)20-14-30-33-15-22(37-26(20)33)19-7-4-8-28-25(19)36-3/h4,7-8,12-16H,5-6,9-11H2,1-3H3,(H,27,34)(H,31,35)/t16-/m0/s1
InChIKeyPOLLGVJDVRTBGE-INIZCTEOSA-N
MW519.63 g/mol
LogP3.64
Rot. Bonds8

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547704) has the molecular formula C26H29N7O3S and a molecular weight of 519.63 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547704
Molecular FormulaC26H29N7O3S
Molecular Weight519.63 g/mol
Exact Mass519.21
IUPAC Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCC[C@@H]4C)cnc3C)c2s1
InChIInChI=1S/C26H29N7O3S/c1-16-6-5-10-32(16)11-9-27-23(34)18-12-21(17(2)29-13-18)31-24(35)20-14-30-33-15-22(37-26(20)33)19-7-4-8-28-25(19)36-3/h4,7-8,12-16H,5-6,9-11H2,1-3H3,(H,27,34)(H,31,35)/t16-/m0/s1
InChIKeyPOLLGVJDVRTBGE-INIZCTEOSA-N
XLogP3.64
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547704) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCC[C@@H]4C)cnc3C)c2s1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is POLLGVJDVRTBGE-INIZCTEOSA-N. The full InChI is InChI=1S/C26H29N7O3S/c1-16-6-5-10-32(16)11-9-27-23(34)18-12-21(17(2)29-13-18)31-24(35)20-14-30-33-15-22(37-26(20)33)19-7-4-8-28-25(19)36-3/h4,7-8,12-16H,5-6,9-11H2,1-3H3,(H,27,34)(H,31,35)/t16-/m0/s1.
What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 519.63 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethylcarbamoyl]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).