(1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

C16H18N6OS — CID 97404961

IUPAC(1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1cccc1C(=O)N1CCc2c(CNc3nccs3)n[nH]c2C1
InChIInChI=1S/C16H18N6OS/c1-21-6-2-3-14(21)15(23)22-7-4-11-12(19-20-13(11)10-22)9-18-16-17-5-8-24-16/h2-3,5-6,8H,4,7,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyAELMBFBRLJAZBP-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.02
Rot. Bonds4

About (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone

(1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (PubChem CID 97404961) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
PubChem CID97404961
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name(1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone
SMILESCn1cccc1C(=O)N1CCc2c(CNc3nccs3)n[nH]c2C1
InChIInChI=1S/C16H18N6OS/c1-21-6-2-3-14(21)15(23)22-7-4-11-12(19-20-13(11)10-22)9-18-16-17-5-8-24-16/h2-3,5-6,8H,4,7,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyAELMBFBRLJAZBP-UHFFFAOYSA-N
XLogP2.02
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

N-[[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
CID 97404956
N-butyl-5-(1-methylpyrrole-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874526
[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 53185513
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
N-methyl-2-(1-methylpyrrol-2-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 77079827
(1-methylpyrrol-2-yl)-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91887736
2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557339
(1-methylpyrrol-2-yl)-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155881332
[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 71695914
[5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97381920
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621788

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone (CID 97404961) is (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is Cn1cccc1C(=O)N1CCc2c(CNc3nccs3)n[nH]c2C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
The InChIKey is AELMBFBRLJAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-21-6-2-3-14(21)15(23)22-7-4-11-12(19-20-13(11)10-22)9-18-16-17-5-8-24-16/h2-3,5-6,8H,4,7,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone?
(1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone has a molecular weight of 342.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 97404961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).