N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C18H25N7S — CID 56887554

IUPACN-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C18H25N7S/c1-14-17(26-13-21-14)3-6-23(2)10-15-9-16-11-24(7-8-25(16)22-15)12-18-19-4-5-20-18/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,19,20)
InChIKeyBZWVIGSUTUMOGG-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.06
Rot. Bonds7

About N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 56887554) has the molecular formula C18H25N7S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID56887554
Molecular FormulaC18H25N7S
Molecular Weight371.51 g/mol
Exact Mass371.19
IUPAC NameN-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C18H25N7S/c1-14-17(26-13-21-14)3-6-23(2)10-15-9-16-11-24(7-8-25(16)22-15)12-18-19-4-5-20-18/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,19,20)
InChIKeyBZWVIGSUTUMOGG-UHFFFAOYSA-N
XLogP2.06
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 56887554) is N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCN(C)Cc1cc2n(n1)CCN(Cc1ncc[nH]1)C2.
What is the InChIKey of N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is BZWVIGSUTUMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7S/c1-14-17(26-13-21-14)3-6-23(2)10-15-9-16-11-24(7-8-25(16)22-15)12-18-19-4-5-20-18/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 371.51 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1H-imidazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 56887554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).