N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride

C17H20ClN7OS — CID 154895023

IUPACN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc2n(n1)CCNC2)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C17H19N7OS.ClH/c25-16(2-1-12-7-14-9-19-5-6-24(14)23-12)21-8-13-11-26-17(22-13)15-10-18-3-4-20-15;/h3-4,7,10-11,19H,1-2,5-6,8-9H2,(H,21,25);1H
InChIKeyDRUNXXLRCWNBGK-UHFFFAOYSA-N
MW405.92 g/mol
LogP1.57
Rot. Bonds6

About N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride (PubChem CID 154895023) has the molecular formula C17H20ClN7OS and a molecular weight of 405.92 g/mol. Its IUPAC name is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
PubChem CID154895023
Molecular FormulaC17H20ClN7OS
Molecular Weight405.92 g/mol
Exact Mass405.11
IUPAC NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
SMILESCl.O=C(CCc1cc2n(n1)CCNC2)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C17H19N7OS.ClH/c25-16(2-1-12-7-14-9-19-5-6-24(14)23-12)21-8-13-11-26-17(22-13)15-10-18-3-4-20-15;/h3-4,7,10-11,19H,1-2,5-6,8-9H2,(H,21,25);1H
InChIKeyDRUNXXLRCWNBGK-UHFFFAOYSA-N
XLogP1.57
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70722632
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154893788
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide;hydrochloride
CID 154894179
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893396
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-[3-(1,2,4-triazol-4-yl)propyl]propanamide;hydrochloride
CID 154894408
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
CID 154896836
3-(2,5-dioxoimidazolidin-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 70772607
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97147318
N-(3-pyridin-3-ylphenyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70752205
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 70742362
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride (CID 154895023) is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride is Cl.O=C(CCc1cc2n(n1)CCNC2)NCc1csc(-c2cnccn2)n1.
What is the InChIKey of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
The InChIKey is DRUNXXLRCWNBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS.ClH/c25-16(2-1-12-7-14-9-19-5-6-24(14)23-12)21-8-13-11-26-17(22-13)15-10-18-3-4-20-15;/h3-4,7,10-11,19H,1-2,5-6,8-9H2,(H,21,25);1H.
What are the key properties of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride?
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride has a molecular weight of 405.92 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 154895023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).