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

C23H23N7O2S — CID 59299198

IUPAC[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCOCC1
InChIInChI=1S/C23H23N7O2S/c31-22(29-9-11-32-12-10-29)16-3-5-17(6-4-16)33-21-14-20-24-7-8-30(20)23(26-21)25-19-13-18(27-28-19)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H2,25,26,27,28)
InChIKeyFBJRMBQFVQEOQF-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.70
Rot. Bonds6

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

[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone (PubChem CID 59299198) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone
PubChem CID59299198
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC Name[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCOCC1
InChIInChI=1S/C23H23N7O2S/c31-22(29-9-11-32-12-10-29)16-3-5-17(6-4-16)33-21-14-20-24-7-8-30(20)23(26-21)25-19-13-18(27-28-19)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H2,25,26,27,28)
InChIKeyFBJRMBQFVQEOQF-UHFFFAOYSA-N
XLogP3.70
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
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]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone (CID 59299198) is [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Sc2cc3nccn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone?
The InChIKey is FBJRMBQFVQEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c31-22(29-9-11-32-12-10-29)16-3-5-17(6-4-16)33-21-14-20-24-7-8-30(20)23(26-21)25-19-13-18(27-28-19)15-1-2-15/h3-8,13-15H,1-2,9-12H2,(H2,25,26,27,28).
What are the key properties of [4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone?
[4-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-morpholin-4-ylmethanone has a molecular weight of 461.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 59299198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).