2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H25N7O3S — CID 164547101

IUPAC2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCCC4)cnc3C)c2s1
InChIInChI=1S/C24H25N7O3S/c1-15-19(10-16(11-26-15)28-21(32)14-30-8-3-4-9-30)29-22(33)18-12-27-31-13-20(35-24(18)31)17-6-5-7-25-23(17)34-2/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyPHBAZRXRJYGZCK-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.46
Rot. Bonds7

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547101) has the molecular formula C24H25N7O3S and a molecular weight of 491.58 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547101
Molecular FormulaC24H25N7O3S
Molecular Weight491.58 g/mol
Exact Mass491.17
IUPAC Name2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCCC4)cnc3C)c2s1
InChIInChI=1S/C24H25N7O3S/c1-15-19(10-16(11-26-15)28-21(32)14-30-8-3-4-9-30)29-22(33)18-12-27-31-13-20(35-24(18)31)17-6-5-7-25-23(17)34-2/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyPHBAZRXRJYGZCK-UHFFFAOYSA-N
XLogP3.46
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.46
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-pyrrolidin-1-ylacetyl)amino]-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-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547101) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-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-pyrrolidin-1-ylacetyl)amino]-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-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCCC4)cnc3C)c2s1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is PHBAZRXRJYGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S/c1-15-19(10-16(11-26-15)28-21(32)14-30-8-3-4-9-30)29-22(33)18-12-27-31-13-20(35-24(18)31)17-6-5-7-25-23(17)34-2/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 491.58 g/mol, XLogP of 3.46, 7 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-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).