7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

C15H17N5OS — CID 162784965

IUPAC7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCC1(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)COC1
InChIInChI=1S/C15H17N5OS/c1-15(7-21-8-15)6-17-10-5-13(16)19-11-4-12(22-14(10)11)9-2-3-18-20-9/h2-5H,6-8H2,1H3,(H,18,20)(H3,16,17,19)
InChIKeyYZDVIEQRHJFGAU-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.72
Rot. Bonds4

About 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine

7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162784965) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
PubChem CID162784965
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
SMILESCC1(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)COC1
InChIInChI=1S/C15H17N5OS/c1-15(7-21-8-15)6-17-10-5-13(16)19-11-4-12(22-14(10)11)9-2-3-18-20-9/h2-5H,6-8H2,1H3,(H,18,20)(H3,16,17,19)
InChIKeyYZDVIEQRHJFGAU-UHFFFAOYSA-N
XLogP2.72
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-N-(2-methylpropyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785048
7-N-(cyclopropylmethyl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine;hydrochloride
CID 162785059
1-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-4-methylpiperidin-4-ol
CID 154684721
2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]butan-1-ol
CID 166905459
7-N-(1-methoxypropan-2-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 162785025
7-N-[2-[[amino(methyl)amino]methyl]but-3-enyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine
CID 166905401
7-(4,4-dimethylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 162784892
7-[(2R)-2-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 162785043
7-(3-methoxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 162784956
3-methyl-11-(1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 146253403
3-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 146243587
4-deuterio-3-methyl-11-(1H-pyrazol-5-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 175945649

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine (CID 162784965) is 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is CC1(CNc2cc(N)nc3cc(-c4ccn[nH]4)sc23)COC1.
What is the InChIKey of 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is YZDVIEQRHJFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-15(7-21-8-15)6-17-10-5-13(16)19-11-4-12(22-14(10)11)9-2-3-18-20-9/h2-5H,6-8H2,1H3,(H,18,20)(H3,16,17,19).
What are the key properties of 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine?
7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 315.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(3-methyloxetan-3-yl)methyl]-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162784965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).