(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide

C15H13N5OS — CID 69047662

IUPAC(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide
SMILESN[C@H]1CSc2cc(C(=O)Nc3ccnc4[nH]ncc34)ccc21
InChIInChI=1S/C15H13N5OS/c16-11-7-22-13-5-8(1-2-9(11)13)15(21)19-12-3-4-17-14-10(12)6-18-20-14/h1-6,11H,7,16H2,(H2,17,18,19,20,21)/t11-/m0/s1
InChIKeyUWCKUQNXVJWXFI-NSHDSACASA-N
MW311.37 g/mol
LogP2.32
Rot. Bonds2

About (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide

(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide (PubChem CID 69047662) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide
PubChem CID69047662
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide
SMILESN[C@H]1CSc2cc(C(=O)Nc3ccnc4[nH]ncc34)ccc21
InChIInChI=1S/C15H13N5OS/c16-11-7-22-13-5-8(1-2-9(11)13)15(21)19-12-3-4-17-14-10(12)6-18-20-14/h1-6,11H,7,16H2,(H2,17,18,19,20,21)/t11-/m0/s1
InChIKeyUWCKUQNXVJWXFI-NSHDSACASA-N
XLogP2.32
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide?
The IUPAC name of (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide (CID 69047662) is (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide.
What is the SMILES notation for (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide?
The canonical SMILES for (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide is N[C@H]1CSc2cc(C(=O)Nc3ccnc4[nH]ncc34)ccc21.
What is the InChIKey of (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide?
The InChIKey is UWCKUQNXVJWXFI-NSHDSACASA-N. The full InChI is InChI=1S/C15H13N5OS/c16-11-7-22-13-5-8(1-2-9(11)13)15(21)19-12-3-4-17-14-10(12)6-18-20-14/h1-6,11H,7,16H2,(H2,17,18,19,20,21)/t11-/m0/s1.
What are the key properties of (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide?
(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 69047662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).