(1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide

C25H26N8OS — CID 11997232

IUPAC(1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCc1ccccc1)N1C[C@@H]2C(Nc3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)[C@@H]2C1
InChIInChI=1S/C25H26N8OS/c34-25(26-11-14-4-2-1-3-5-14)33-12-16-17(13-33)21(16)29-24-27-18-8-9-35-22(18)23(30-24)28-20-10-19(31-32-20)15-6-7-15/h1-5,8-10,15-17,21H,6-7,11-13H2,(H,26,34)(H3,27,28,29,30,31,32)/t16-,17+,21?
InChIKeySJCVWZQSSZJRMT-QRTHJKPMSA-N
MW486.61 g/mol
LogP4.29
Rot. Bonds7

About (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 11997232) has the molecular formula C25H26N8OS and a molecular weight of 486.61 g/mol. Its IUPAC name is (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID11997232
Molecular FormulaC25H26N8OS
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name(1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCc1ccccc1)N1C[C@@H]2C(Nc3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)[C@@H]2C1
InChIInChI=1S/C25H26N8OS/c34-25(26-11-14-4-2-1-3-5-14)33-12-16-17(13-33)21(16)29-24-27-18-8-9-35-22(18)23(30-24)28-20-10-19(31-32-20)15-6-7-15/h1-5,8-10,15-17,21H,6-7,11-13H2,(H,26,34)(H3,27,28,29,30,31,32)/t16-,17+,21?
InChIKeySJCVWZQSSZJRMT-QRTHJKPMSA-N
XLogP4.29
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

PF-3758309
CID 25227462
CID 49830886
CID 49830886
2-(4-Aminopiperidin-1-Yl)-N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)thieno[3,2-D]pyrimidin-4-Amine
CID 91809512
2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 15953852
(3S)-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-(4-fluorophenyl)propan-1-ol
CID 68903303
2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178544
2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178545
2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178546
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178547
2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178548
2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178549
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxaMide, N-[(1S)-2-(diMethylaMino)-1-phenylethyl]-4,6-dihydro-6,6-diMethyl-3-[(2-Methylthieno[3,2-d]pyriMidin-4-yl)aMino]-
CID 90461900

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 11997232) is (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NCc1ccccc1)N1C[C@@H]2C(Nc3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)[C@@H]2C1.
What is the InChIKey of (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SJCVWZQSSZJRMT-QRTHJKPMSA-N. The full InChI is InChI=1S/C25H26N8OS/c34-25(26-11-14-4-2-1-3-5-14)33-12-16-17(13-33)21(16)29-24-27-18-8-9-35-22(18)23(30-24)28-20-10-19(31-32-20)15-6-7-15/h1-5,8-10,15-17,21H,6-7,11-13H2,(H,26,34)(H3,27,28,29,30,31,32)/t16-,17+,21?.
What are the key properties of (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 486.61 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-benzyl-6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 11997232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).