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

C23H24N8OS — CID 59299073

IUPAC[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCNCC1
InChIInChI=1S/C23H24N8OS/c32-22(30-10-7-24-8-11-30)16-3-5-17(6-4-16)33-21-14-20-25-9-12-31(20)23(27-21)26-19-13-18(28-29-19)15-1-2-15/h3-6,9,12-15,24H,1-2,7-8,10-11H2,(H2,26,27,28,29)
InChIKeyNPQDGMDYVVWSSY-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.27
Rot. Bonds6

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

[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone (PubChem CID 59299073) has the molecular formula C23H24N8OS and a molecular weight of 460.57 g/mol. Its IUPAC name is [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone
PubChem CID59299073
Molecular FormulaC23H24N8OS
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC Name[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCNCC1
InChIInChI=1S/C23H24N8OS/c32-22(30-10-7-24-8-11-30)16-3-5-17(6-4-16)33-21-14-20-25-9-12-31(20)23(27-21)26-19-13-18(28-29-19)15-1-2-15/h3-6,9,12-15,24H,1-2,7-8,10-11H2,(H2,26,27,28,29)
InChIKeyNPQDGMDYVVWSSY-UHFFFAOYSA-N
XLogP3.27
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone (CID 59299073) is [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone is O=C(c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCNCC1.
What is the InChIKey of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone?
The InChIKey is NPQDGMDYVVWSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8OS/c32-22(30-10-7-24-8-11-30)16-3-5-17(6-4-16)33-21-14-20-25-9-12-31(20)23(27-21)26-19-13-18(28-29-19)15-1-2-15/h3-6,9,12-15,24H,1-2,7-8,10-11H2,(H2,26,27,28,29).
What are the key properties of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone?
[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone has a molecular weight of 460.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59299073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).