1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol

C18H24N6OS — CID 154684721

IUPAC1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1
InChIInChI=1S/C18H24N6OS/c1-18(25)3-7-24(8-4-18)9-6-20-13-11-16(19)22-14-10-15(26-17(13)14)12-2-5-21-23-12/h2,5,10-11,25H,3-4,6-9H2,1H3,(H,21,23)(H3,19,20,22)
InChIKeyURVYNQDFAJYGBX-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol

1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol (PubChem CID 154684721) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
PubChem CID154684721
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1
InChIInChI=1S/C18H24N6OS/c1-18(25)3-7-24(8-4-18)9-6-20-13-11-16(19)22-14-10-15(26-17(13)14)12-2-5-21-23-12/h2,5,10-11,25H,3-4,6-9H2,1H3,(H,21,23)(H3,19,20,22)
InChIKeyURVYNQDFAJYGBX-UHFFFAOYSA-N
XLogP2.53
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol (CID 154684721) is 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CCNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)CC1.
What is the InChIKey of 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol?
The InChIKey is URVYNQDFAJYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-18(25)3-7-24(8-4-18)9-6-20-13-11-16(19)22-14-10-15(26-17(13)14)12-2-5-21-23-12/h2,5,10-11,25H,3-4,6-9H2,1H3,(H,21,23)(H3,19,20,22).
What are the key properties of 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol?
1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol has a molecular weight of 372.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 154684721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).