(4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

C18H22N6OS — CID 118740004

IUPAC(4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC(c2ccc3c(NC(C)C)n[nH]c3n2)C1
InChIInChI=1S/C18H22N6OS/c1-10(2)20-16-13-4-5-14(21-17(13)23-22-16)12-6-7-24(8-12)18(25)15-11(3)19-9-26-15/h4-5,9-10,12H,6-8H2,1-3H3,(H2,20,21,22,23)
InChIKeyGKFUYMNEKMXOGW-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.17
Rot. Bonds4

About (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone (PubChem CID 118740004) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
PubChem CID118740004
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC(c2ccc3c(NC(C)C)n[nH]c3n2)C1
InChIInChI=1S/C18H22N6OS/c1-10(2)20-16-13-4-5-14(21-17(13)23-22-16)12-6-7-24(8-12)18(25)15-11(3)19-9-26-15/h4-5,9-10,12H,6-8H2,1-3H3,(H2,20,21,22,23)
InChIKeyGKFUYMNEKMXOGW-UHFFFAOYSA-N
XLogP3.17
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone (CID 118740004) is (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC(c2ccc3c(NC(C)C)n[nH]c3n2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GKFUYMNEKMXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-10(2)20-16-13-4-5-14(21-17(13)23-22-16)12-6-7-24(8-12)18(25)15-11(3)19-9-26-15/h4-5,9-10,12H,6-8H2,1-3H3,(H2,20,21,22,23).
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).