N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide

C19H21N7OS — CID 173086967

IUPACN-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide
SMILESCNC(=O)Cc1cccc(SN2C=C(Nc3cc(C)[nH]n3)n3ccnc3C2)c1
InChIInChI=1S/C19H21N7OS/c1-13-8-16(24-23-13)22-18-12-25(11-17-21-6-7-26(17)18)28-15-5-3-4-14(9-15)10-19(27)20-2/h3-9,12H,10-11H2,1-2H3,(H,20,27)(H2,22,23,24)
InChIKeyDLGLQLVRYZQIAJ-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.59
Rot. Bonds6

About N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide

N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide (PubChem CID 173086967) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide
PubChem CID173086967
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC NameN-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide
SMILESCNC(=O)Cc1cccc(SN2C=C(Nc3cc(C)[nH]n3)n3ccnc3C2)c1
InChIInChI=1S/C19H21N7OS/c1-13-8-16(24-23-13)22-18-12-25(11-17-21-6-7-26(17)18)28-15-5-3-4-14(9-15)10-19(27)20-2/h3-9,12H,10-11H2,1-2H3,(H,20,27)(H2,22,23,24)
InChIKeyDLGLQLVRYZQIAJ-UHFFFAOYSA-N
XLogP2.59
TPSA90.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide
CID 173087066
N-cyclopropyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]sulfanyl]phenyl]acetamide
CID 173086997
N-(5-methyl-1H-pyrazol-3-yl)-7-[4-(1,3,4-oxadiazol-2-yl)phenyl]sulfanyl-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173086796
7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 173086589
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(2,6-dimethylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087467
N-[4-[[2-[(4-methylpiperazin-1-yl)methyl]-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 173087463
3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide
CID 173087586
7-(3-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087413
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289669
7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173086806
1,1-diethyl-3-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]sulfanyl]phenyl]urea
CID 173087083
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide?
The IUPAC name of N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide (CID 173086967) is N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide is CNC(=O)Cc1cccc(SN2C=C(Nc3cc(C)[nH]n3)n3ccnc3C2)c1.
What is the InChIKey of N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide?
The InChIKey is DLGLQLVRYZQIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-13-8-16(24-23-13)22-18-12-25(11-17-21-6-7-26(17)18)28-15-5-3-4-14(9-15)10-19(27)20-2/h3-9,12H,10-11H2,1-2H3,(H,20,27)(H2,22,23,24).
What are the key properties of N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide?
N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide has a molecular weight of 395.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 173086967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).