2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole

C17H19N5S — CID 165156706

IUPAC2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCC5(CCN5)C4)c23)s1
InChIInChI=1S/C17H19N5S/c1-11-8-20-16(23-11)12-9-19-15-14(12)13(2-5-18-15)22-7-4-17(10-22)3-6-21-17/h2,5,8-9,21H,3-4,6-7,10H2,1H3,(H,18,19)
InChIKeyDQOPOBSFOJURJA-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.94
Rot. Bonds2

About 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole

2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole (PubChem CID 165156706) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
PubChem CID165156706
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCC5(CCN5)C4)c23)s1
InChIInChI=1S/C17H19N5S/c1-11-8-20-16(23-11)12-9-19-15-14(12)13(2-5-18-15)22-7-4-17(10-22)3-6-21-17/h2,5,8-9,21H,3-4,6-7,10H2,1H3,(H,18,19)
InChIKeyDQOPOBSFOJURJA-UHFFFAOYSA-N
XLogP2.94
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole (CID 165156706) is 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole is Cc1cnc(-c2c[nH]c3nccc(N4CCC5(CCN5)C4)c23)s1.
What is the InChIKey of 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The InChIKey is DQOPOBSFOJURJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-11-8-20-16(23-11)12-9-19-15-14(12)13(2-5-18-15)22-7-4-17(10-22)3-6-21-17/h2,5,8-9,21H,3-4,6-7,10H2,1H3,(H,18,19).
What are the key properties of 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole has a molecular weight of 325.44 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 165156706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).