5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

C22H22N8S2 — CID 162492840

IUPAC5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCN1CCC2(CC1)CN(c1nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s1)C2
InChIInChI=1S/C22H22N8S2/c1-29-6-3-22(4-7-29)11-30(12-22)21-28-20-19(32-21)27-18(31-20)17-16-14(2-5-23-16)15(10-24-17)13-8-25-26-9-13/h2,5,8-10,23H,3-4,6-7,11-12H2,1H3,(H,25,26)
InChIKeyJGLWYGKJQVNHMV-UHFFFAOYSA-N
MW462.61 g/mol
LogP4.22
Rot. Bonds3

About 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 162492840) has the molecular formula C22H22N8S2 and a molecular weight of 462.61 g/mol. Its IUPAC name is 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID162492840
Molecular FormulaC22H22N8S2
Molecular Weight462.61 g/mol
Exact Mass462.14
IUPAC Name5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCN1CCC2(CC1)CN(c1nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s1)C2
InChIInChI=1S/C22H22N8S2/c1-29-6-3-22(4-7-29)11-30(12-22)21-28-20-19(32-21)27-18(31-20)17-16-14(2-5-23-16)15(10-24-17)13-8-25-26-9-13/h2,5,8-10,23H,3-4,6-7,11-12H2,1H3,(H,25,26)
InChIKeyJGLWYGKJQVNHMV-UHFFFAOYSA-N
XLogP4.22
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 162492840) is 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is CN1CCC2(CC1)CN(c1nc3sc(-c4ncc(-c5cn[nH]c5)c5cc[nH]c45)nc3s1)C2.
What is the InChIKey of 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is JGLWYGKJQVNHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8S2/c1-29-6-3-22(4-7-29)11-30(12-22)21-28-20-19(32-21)27-18(31-20)17-16-14(2-5-23-16)15(10-24-17)13-8-25-26-9-13/h2,5,8-10,23H,3-4,6-7,11-12H2,1H3,(H,25,26).
What are the key properties of 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 462.61 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-[4-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-7-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 162492840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).