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

C22H22N8O2S — CID 59299233

IUPAC7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)cc2n1
InChIInChI=1S/C22H22N8O2S/c1-12-9-17(29-28-12)26-22-27-19(10-18-25-16(11-30(18)22)21(32)23-2)33-15-7-5-14(6-8-15)24-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,23,32)(H,24,31)(H2,26,27,28,29)
InChIKeyIGVZXLLVMNQJMV-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.36
Rot. Bonds7

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

7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 59299233) has the molecular formula C22H22N8O2S and a molecular weight of 462.54 g/mol. Its IUPAC name is 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID59299233
Molecular FormulaC22H22N8O2S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCNC(=O)c1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)cc2n1
InChIInChI=1S/C22H22N8O2S/c1-12-9-17(29-28-12)26-22-27-19(10-18-25-16(11-30(18)22)21(32)23-2)33-15-7-5-14(6-8-15)24-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,23,32)(H,24,31)(H2,26,27,28,29)
InChIKeyIGVZXLLVMNQJMV-UHFFFAOYSA-N
XLogP3.36
TPSA129.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3R)-3-(3,3-difluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
CID 57384257
(3R)-N-tert-butyl-1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylanilino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 57384512
(3R)-1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylanilino]-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 57384513
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 11984538
N-[4-[6-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 56661565
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(2-morpholin-4-ylacetyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 56671934
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(2-pyrrolidin-1-ylacetyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 56678646
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide
CID 56678647
2-(cyclopentylamino)-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
CID 56681964
2-methyl-N-[(3R)-1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylanilino]-2-oxoethyl]pyrrolidin-3-yl]propanamide
CID 53339204
2-(cyclopropylamino)-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
CID 53340221
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]-2-[(3S)-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 53340224

Frequently Asked Questions

What is the IUPAC name of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide (CID 59299233) is 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide is CNC(=O)c1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)cc2n1.
What is the InChIKey of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is IGVZXLLVMNQJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2S/c1-12-9-17(29-28-12)26-22-27-19(10-18-25-16(11-30(18)22)21(32)23-2)33-15-7-5-14(6-8-15)24-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,23,32)(H,24,31)(H2,26,27,28,29).
What are the key properties of 7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide?
7-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 462.54 g/mol, XLogP of 3.36, 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]imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 59299233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).