2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

C21H20N6S — CID 170725566

IUPAC2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESc1cncc(-c2nc3cc(Nc4cccc(CN5CCCC5)n4)ncc3s2)c1
InChIInChI=1S/C21H20N6S/c1-2-10-27(9-1)14-16-6-3-7-19(24-16)26-20-11-17-18(13-23-20)28-21(25-17)15-5-4-8-22-12-15/h3-8,11-13H,1-2,9-10,14H2,(H,23,24,26)
InChIKeyMQZWNRVWEXWJCN-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.49
Rot. Bonds5

About 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 170725566) has the molecular formula C21H20N6S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID170725566
Molecular FormulaC21H20N6S
Molecular Weight388.50 g/mol
Exact Mass388.15
IUPAC Name2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESc1cncc(-c2nc3cc(Nc4cccc(CN5CCCC5)n4)ncc3s2)c1
InChIInChI=1S/C21H20N6S/c1-2-10-27(9-1)14-16-6-3-7-19(24-16)26-20-11-17-18(13-23-20)28-21(25-17)15-5-4-8-22-12-15/h3-8,11-13H,1-2,9-10,14H2,(H,23,24,26)
InChIKeyMQZWNRVWEXWJCN-UHFFFAOYSA-N
XLogP4.49
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 170725566) is 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is c1cncc(-c2nc3cc(Nc4cccc(CN5CCCC5)n4)ncc3s2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is MQZWNRVWEXWJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6S/c1-2-10-27(9-1)14-16-6-3-7-19(24-16)26-20-11-17-18(13-23-20)28-21(25-17)15-5-4-8-22-12-15/h3-8,11-13H,1-2,9-10,14H2,(H,23,24,26).
What are the key properties of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 388.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 170725566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).