4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide

C25H29N7OS — CID 143845749

IUPAC4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(CC)C(=O)C1CC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CN1
InChIInChI=1S/C25H29N7OS/c1-3-9-31(4-2)25(33)21-11-18(14-27-21)32-15-17(13-29-32)16-10-19(23(26)28-12-16)24-30-20-7-5-6-8-22(20)34-24/h5-8,10,12-13,15,18,21,27H,3-4,9,11,14H2,1-2H3,(H2,26,28)
InChIKeyBFOSOSRERAHOOY-UHFFFAOYSA-N
MW475.62 g/mol
LogP3.97
Rot. Bonds7

About 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide

4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide (PubChem CID 143845749) has the molecular formula C25H29N7OS and a molecular weight of 475.62 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide
PubChem CID143845749
Molecular FormulaC25H29N7OS
Molecular Weight475.62 g/mol
Exact Mass475.22
IUPAC Name4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide
SMILESCCCN(CC)C(=O)C1CC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CN1
InChIInChI=1S/C25H29N7OS/c1-3-9-31(4-2)25(33)21-11-18(14-27-21)32-15-17(13-29-32)16-10-19(23(26)28-12-16)24-30-20-7-5-6-8-22(20)34-24/h5-8,10,12-13,15,18,21,27H,3-4,9,11,14H2,1-2H3,(H2,26,28)
InChIKeyBFOSOSRERAHOOY-UHFFFAOYSA-N
XLogP3.97
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide (CID 143845749) is 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide is CCCN(CC)C(=O)C1CC(n2cc(-c3cnc(N)c(-c4nc5ccccc5s4)c3)cn2)CN1.
What is the InChIKey of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide?
The InChIKey is BFOSOSRERAHOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7OS/c1-3-9-31(4-2)25(33)21-11-18(14-27-21)32-15-17(13-29-32)16-10-19(23(26)28-12-16)24-30-20-7-5-6-8-22(20)34-24/h5-8,10,12-13,15,18,21,27H,3-4,9,11,14H2,1-2H3,(H2,26,28).
What are the key properties of 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide?
4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]-N-ethyl-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143845749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).