5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole

C18H18N6S — CID 168879068

IUPAC5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole
SMILESC=C1c2nn(-c3ccc(N4CCCC4)nc3)cc2CN1c1cncs1
InChIInChI=1S/C18H18N6S/c1-13-18-14(10-23(13)17-9-19-12-25-17)11-24(21-18)15-4-5-16(20-8-15)22-6-2-3-7-22/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyISXAKLJCOJOFRX-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.31
Rot. Bonds3

About 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole

5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole (PubChem CID 168879068) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole
PubChem CID168879068
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole
SMILESC=C1c2nn(-c3ccc(N4CCCC4)nc3)cc2CN1c1cncs1
InChIInChI=1S/C18H18N6S/c1-13-18-14(10-23(13)17-9-19-12-25-17)11-24(21-18)15-4-5-16(20-8-15)22-6-2-3-7-22/h4-5,8-9,11-12H,1-3,6-7,10H2
InChIKeyISXAKLJCOJOFRX-UHFFFAOYSA-N
XLogP3.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029
2,5-di(piperidin-1-yl)pyridine
CID 56695292
N-[(E)-[2,4-dimethylidene-1-(1,3-thiazol-5-yl)pyrrolidin-3-ylidene]methyl]-N-methyl-5-pyrrolidin-1-ylpyrazin-2-amine;ethane
CID 168878805
2-(4-chlorophenyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-4H-pyrrolo[3,4-c]pyrazol-6-one;hydrochloride
CID 46189308
7-[(1Z)-buta-1,3-dienyl]-6-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrano[4,3-c]pyrazole
CID 178157160
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
CID 166523555
5-iodo-2-piperidin-1-ylpyridine
CID 44721358
2-[5-(3-fluoroazocan-1-yl)pyrazin-2-yl]-5-(1,3-thiazol-5-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878906
5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837500

Frequently Asked Questions

What is the IUPAC name of 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole (CID 168879068) is 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole is C=C1c2nn(-c3ccc(N4CCCC4)nc3)cc2CN1c1cncs1.
What is the InChIKey of 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole?
The InChIKey is ISXAKLJCOJOFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-13-18-14(10-23(13)17-9-19-12-25-17)11-24(21-18)15-4-5-16(20-8-15)22-6-2-3-7-22/h4-5,8-9,11-12H,1-3,6-7,10H2.
What are the key properties of 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole?
5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole has a molecular weight of 350.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methylidene-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 168879068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).