N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide

C22H24N8OS — CID 59299055

IUPACN-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCNCc1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)cc2n1
InChIInChI=1S/C22H24N8OS/c1-13-9-18(29-28-13)26-22-27-20(10-19-24-16(11-23-2)12-30(19)22)32-17-7-5-15(6-8-17)25-21(31)14-3-4-14/h5-10,12,14,23H,3-4,11H2,1-2H3,(H,25,31)(H2,26,27,28,29)
InChIKeyMQLLYGMTCOEXND-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.72
Rot. Bonds8

About N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide

N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 59299055) has the molecular formula C22H24N8OS and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID59299055
Molecular FormulaC22H24N8OS
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC NameN-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide
SMILESCNCc1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)cc2n1
InChIInChI=1S/C22H24N8OS/c1-13-9-18(29-28-13)26-22-27-20(10-19-24-16(11-23-2)12-30(19)22)32-17-7-5-15(6-8-17)25-21(31)14-3-4-14/h5-10,12,14,23H,3-4,11H2,1-2H3,(H,25,31)(H2,26,27,28,29)
InChIKeyMQLLYGMTCOEXND-UHFFFAOYSA-N
XLogP3.72
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Tozasertib
CID 5494449
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-ylamino)pyrimidin-2-ylthio)phenyl)acetamide
CID 9924047
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-(6-Methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-acetamide
CID 3228928

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide (CID 59299055) is N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is CNCc1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CC4)cc3)cc2n1.
What is the InChIKey of N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is MQLLYGMTCOEXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8OS/c1-13-9-18(29-28-13)26-22-27-20(10-19-24-16(11-23-2)12-30(19)22)32-17-7-5-15(6-8-17)25-21(31)14-3-4-14/h5-10,12,14,23H,3-4,11H2,1-2H3,(H,25,31)(H2,26,27,28,29).
What are the key properties of N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide?
N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 448.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylaminomethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 59299055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).