N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine

C25H35N5O2S — CID 162785005

IUPACN-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
SMILESC[C@@H]1CN(c2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[C@@H](C)O1
InChIInChI=1S/C25H35N5O2S/c1-16-14-29(15-17(2)32-16)20-13-22(28-25(3,4)5)27-18-12-21(33-24(18)20)19-9-10-26-30(19)23-8-6-7-11-31-23/h9-10,12-13,16-17,23H,6-8,11,14-15H2,1-5H3,(H,27,28)/t16-,17-,23?/m1/s1
InChIKeySJYYNIXQINQQNR-QVSFKUMNSA-N
MW469.66 g/mol
LogP5.68
Rot. Bonds4

About N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine

N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine (PubChem CID 162785005) has the molecular formula C25H35N5O2S and a molecular weight of 469.66 g/mol. Its IUPAC name is N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
PubChem CID162785005
Molecular FormulaC25H35N5O2S
Molecular Weight469.66 g/mol
Exact Mass469.25
IUPAC NameN-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine
SMILESC[C@@H]1CN(c2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[C@@H](C)O1
InChIInChI=1S/C25H35N5O2S/c1-16-14-29(15-17(2)32-16)20-13-22(28-25(3,4)5)27-18-12-21(33-24(18)20)19-9-10-26-30(19)23-8-6-7-11-31-23/h9-10,12-13,16-17,23H,6-8,11,14-15H2,1-5H3,(H,27,28)/t16-,17-,23?/m1/s1
InChIKeySJYYNIXQINQQNR-QVSFKUMNSA-N
XLogP5.68
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.66
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
The IUPAC name of N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine (CID 162785005) is N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
The canonical SMILES for N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine is C[C@@H]1CN(c2cc(NC(C)(C)C)nc3cc(-c4ccnn4C4CCCCO4)sc23)C[C@@H](C)O1.
What is the InChIKey of N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
The InChIKey is SJYYNIXQINQQNR-QVSFKUMNSA-N. The full InChI is InChI=1S/C25H35N5O2S/c1-16-14-29(15-17(2)32-16)20-13-22(28-25(3,4)5)27-18-12-21(33-24(18)20)19-9-10-26-30(19)23-8-6-7-11-31-23/h9-10,12-13,16-17,23H,6-8,11,14-15H2,1-5H3,(H,27,28)/t16-,17-,23?/m1/s1.
What are the key properties of N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine?
N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine has a molecular weight of 469.66 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 162785005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).