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

C19H19N7O2S2 — CID 59299231

IUPACN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide
SMILESCc1cc(Nc2nc(Sc3ccc(NS(=O)(=O)C4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C19H19N7O2S2/c1-12-10-16(24-23-12)21-19-22-18(11-17-20-8-9-26(17)19)29-14-4-2-13(3-5-14)25-30(27,28)15-6-7-15/h2-5,8-11,15,25H,6-7H2,1H3,(H2,21,22,23,24)
InChIKeyMGPTUPIWCMWMDH-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.56
Rot. Bonds7

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

N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide (PubChem CID 59299231) has the molecular formula C19H19N7O2S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide
PubChem CID59299231
Molecular FormulaC19H19N7O2S2
Molecular Weight441.54 g/mol
Exact Mass441.10
IUPAC NameN-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide
SMILESCc1cc(Nc2nc(Sc3ccc(NS(=O)(=O)C4CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C19H19N7O2S2/c1-12-10-16(24-23-12)21-19-22-18(11-17-20-8-9-26(17)19)29-14-4-2-13(3-5-14)25-30(27,28)15-6-7-15/h2-5,8-11,15,25H,6-7H2,1H3,(H2,21,22,23,24)
InChIKeyMGPTUPIWCMWMDH-UHFFFAOYSA-N
XLogP3.56
TPSA117.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide (CID 59299231) is N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide is Cc1cc(Nc2nc(Sc3ccc(NS(=O)(=O)C4CC4)cc3)cc3nccn23)n[nH]1.
What is the InChIKey of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide?
The InChIKey is MGPTUPIWCMWMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S2/c1-12-10-16(24-23-12)21-19-22-18(11-17-20-8-9-26(17)19)29-14-4-2-13(3-5-14)25-30(27,28)15-6-7-15/h2-5,8-11,15,25H,6-7H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide?
N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide has a molecular weight of 441.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropanesulfonamide is sourced from PubChem (CID 59299231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).