7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide

C22H24N8O2S — CID 173086589

IUPAC7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1cn2c(n1)CN(Sc1ccc(NC(=O)C3CC3)cc1)C=C2Nc1cc(C)[nH]n1
InChIInChI=1S/C22H24N8O2S/c1-13-9-18(28-27-13)26-20-12-29(11-19-25-17(10-30(19)20)22(32)23-2)33-16-7-5-15(6-8-16)24-21(31)14-3-4-14/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,32)(H,24,31)(H2,26,27,28)
InChIKeyMZZCBIVPHBISCA-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.01
Rot. Bonds7

About 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide

7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 173086589) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID173086589
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC Name7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1cn2c(n1)CN(Sc1ccc(NC(=O)C3CC3)cc1)C=C2Nc1cc(C)[nH]n1
InChIInChI=1S/C22H24N8O2S/c1-13-9-18(28-27-13)26-20-12-29(11-19-25-17(10-30(19)20)22(32)23-2)33-16-7-5-15(6-8-16)24-21(31)14-3-4-14/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,32)(H,24,31)(H2,26,27,28)
InChIKeyMZZCBIVPHBISCA-UHFFFAOYSA-N
XLogP3.01
TPSA119.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 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) is 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide is CNC(=O)c1cn2c(n1)CN(Sc1ccc(NC(=O)C3CC3)cc1)C=C2Nc1cc(C)[nH]n1.
What is the InChIKey of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is MZZCBIVPHBISCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-13-9-18(28-27-13)26-20-12-29(11-19-25-17(10-30(19)20)22(32)23-2)33-16-7-5-15(6-8-16)24-21(31)14-3-4-14/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,32)(H,24,31)(H2,26,27,28).
What are the key properties of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide?
7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 3.01, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 173086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).