2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine

C14H19N5OS — CID 166905442

IUPAC2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine
SMILESCO[C@H](C)CNc1cc(N)nc2cc(C3=CCNN3)sc12
InChIInChI=1S/C14H19N5OS/c1-8(20-2)7-16-10-6-13(15)18-11-5-12(21-14(10)11)9-3-4-17-19-9/h3,5-6,8,17,19H,4,7H2,1-2H3,(H3,15,16,18)/t8-/m1/s1
InChIKeyGBTQYRUZEWBSQT-MRVPVSSYSA-N
MW305.41 g/mol
LogP1.77
Rot. Bonds5

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

2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 166905442) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine
PubChem CID166905442
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine
SMILESCO[C@H](C)CNc1cc(N)nc2cc(C3=CCNN3)sc12
InChIInChI=1S/C14H19N5OS/c1-8(20-2)7-16-10-6-13(15)18-11-5-12(21-14(10)11)9-3-4-17-19-9/h3,5-6,8,17,19H,4,7H2,1-2H3,(H3,15,16,18)/t8-/m1/s1
InChIKeyGBTQYRUZEWBSQT-MRVPVSSYSA-N
XLogP1.77
TPSA84.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine?
The IUPAC name of 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine (CID 166905442) is 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine is CO[C@H](C)CNc1cc(N)nc2cc(C3=CCNN3)sc12.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine?
The InChIKey is GBTQYRUZEWBSQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8(20-2)7-16-10-6-13(15)18-11-5-12(21-14(10)11)9-3-4-17-19-9/h3,5-6,8,17,19H,4,7H2,1-2H3,(H3,15,16,18)/t8-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine?
2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 305.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrazol-5-yl)-7-N-[(2R)-2-methoxypropyl]thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 166905442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).