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

C20H20N8OS — CID 46892176

IUPAC1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4(N)CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C20H20N8OS/c1-12-10-15(27-26-12)24-19-25-17(11-16-22-8-9-28(16)19)30-14-4-2-13(3-5-14)23-18(29)20(21)6-7-20/h2-5,8-11H,6-7,21H2,1H3,(H,23,29)(H2,24,25,26,27)
InChIKeyRCYQJMNANRUHSP-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.09
Rot. Bonds6

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

1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide (PubChem CID 46892176) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide
PubChem CID46892176
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC Name1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide
SMILESCc1cc(Nc2nc(Sc3ccc(NC(=O)C4(N)CC4)cc3)cc3nccn23)n[nH]1
InChIInChI=1S/C20H20N8OS/c1-12-10-15(27-26-12)24-19-25-17(11-16-22-8-9-28(16)19)30-14-4-2-13(3-5-14)23-18(29)20(21)6-7-20/h2-5,8-11H,6-7,21H2,1H3,(H,23,29)(H2,24,25,26,27)
InChIKeyRCYQJMNANRUHSP-UHFFFAOYSA-N
XLogP3.09
TPSA126.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide (CID 46892176) is 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide is Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4(N)CC4)cc3)cc3nccn23)n[nH]1.
What is the InChIKey of 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide?
The InChIKey is RCYQJMNANRUHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c1-12-10-15(27-26-12)24-19-25-17(11-16-22-8-9-28(16)19)30-14-4-2-13(3-5-14)23-18(29)20(21)6-7-20/h2-5,8-11H,6-7,21H2,1H3,(H,23,29)(H2,24,25,26,27).
What are the key properties of 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46892176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).