(2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol

C66H96BrN15O5S3 — CID 163491458

About (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol

(2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol (PubChem CID 163491458) has the molecular formula C66H96BrN15O5S3 and a molecular weight of 1355.70 g/mol. Its IUPAC name is (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol
• PubChem CID: 163491458
• Molecular Formula: C66H96BrN15O5S3
• Molecular Weight: 1355.70 g/mol
• Exact Mass: 1353.61
• IUPAC Name: (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)C[C@@H](N)CO.CC(C)C[C@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)C[C@H](CO)Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
• InChI: InChI=1S/C25H37N5O2S.C19H23BrN4OS.C16H21N5OS.C6H15NO/c1-16(2)12-17(15-31)27-19-14-22(29-25(3,4)5)28-18-13-21(33-24(18)19)20-9-10-26-30(20)23-8-6-7-11-32-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-9(2)5-10(8-22)19-13-7-15(17)20-12-6-14(23-16(12)13)11-3-4-18-21-11;1-5(2)3-6(7)4-8/h9-10,13-14,16-17,23,31H,6-8,11-12,15H2,1-5H3,(H2,27,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-4,6-7,9-10,22H,5,8H2,1-2H3,(H,18,21)(H3,17,19,20);5-6,8H,3-4,7H2,1-2H3/t17-,23?;;10-;6-/m1.11/s1
• InChIKey: CMYWUFNCVBTZMX-ULOJKIOLSA-N
• XLogP: 15.16
• TPSA: 282.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.70
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol?

The IUPAC name of (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol (CID 163491458) is (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol.

What is the SMILES notation for (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol?

The canonical SMILES for (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CC(C)C[C@@H](N)CO.CC(C)C[C@H](CO)Nc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CC(C)C[C@H](CO)Nc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.

What is the InChIKey of (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol?

The InChIKey is CMYWUFNCVBTZMX-ULOJKIOLSA-N. The full InChI is InChI=1S/C25H37N5O2S.C19H23BrN4OS.C16H21N5OS.C6H15NO/c1-16(2)12-17(15-31)27-19-14-22(29-25(3,4)5)28-18-13-21(33-24(18)19)20-9-10-26-30(20)23-8-6-7-11-32-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-9(2)5-10(8-22)19-13-7-15(17)20-12-6-14(23-16(12)13)11-3-4-18-21-11;1-5(2)3-6(7)4-8/h9-10,13-14,16-17,23,31H,6-8,11-12,15H2,1-5H3,(H2,27,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);3-4,6-7,9-10,22H,5,8H2,1-2H3,(H,18,21)(H3,17,19,20);5-6,8H,3-4,7H2,1-2H3/t17-,23?;;10-;6-/m1.11/s1.

What are the key properties of (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol?

(2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol has a molecular weight of 1355.70 g/mol, XLogP of 15.16, 20 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-4-methylpentan-1-ol;(2R)-2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;(2R)-2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 163491458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).