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

C23H24N8OS — CID 46892429

IUPACN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCCC1
InChIInChI=1S/C23H24N8OS/c32-23(30-10-1-2-11-30)25-16-5-7-17(8-6-16)33-21-14-20-24-9-12-31(20)22(27-21)26-19-13-18(28-29-19)15-3-4-15/h5-9,12-15H,1-4,10-11H2,(H,25,32)(H2,26,27,28,29)
InChIKeyNCFWLGOJTOGKLT-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.85
Rot. Bonds6

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

N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide (PubChem CID 46892429) has the molecular formula C23H24N8OS and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide
PubChem CID46892429
Molecular FormulaC23H24N8OS
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCCC1
InChIInChI=1S/C23H24N8OS/c32-23(30-10-1-2-11-30)25-16-5-7-17(8-6-16)33-21-14-20-24-9-12-31(20)22(27-21)26-19-13-18(28-29-19)15-3-4-15/h5-9,12-15H,1-4,10-11H2,(H,25,32)(H2,26,27,28,29)
InChIKeyNCFWLGOJTOGKLT-UHFFFAOYSA-N
XLogP4.85
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide (CID 46892429) is N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCCC1.
What is the InChIKey of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is NCFWLGOJTOGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8OS/c32-23(30-10-1-2-11-30)25-16-5-7-17(8-6-16)33-21-14-20-24-9-12-31(20)22(27-21)26-19-13-18(28-29-19)15-3-4-15/h5-9,12-15H,1-4,10-11H2,(H,25,32)(H2,26,27,28,29).
What are the key properties of N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide?
N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 46892429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).