6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

C23H19N7OS — CID 58935787

IUPAC6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C23H19N7OS/c31-22-16-9-8-15(10-19(16)28-30-22)32-23-24-17(13-4-2-1-3-5-13)11-20(26-23)25-21-12-18(27-29-21)14-6-7-14/h1-5,8-12,14H,6-7H2,(H2,28,30,31)(H2,24,25,26,27,29)
InChIKeyPDWKMGOYZHJDNL-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.81
Rot. Bonds6

About 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (PubChem CID 58935787) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
PubChem CID58935787
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C23H19N7OS/c31-22-16-9-8-15(10-19(16)28-30-22)32-23-24-17(13-4-2-1-3-5-13)11-20(26-23)25-21-12-18(27-29-21)14-6-7-14/h1-5,8-12,14H,6-7H2,(H2,28,30,31)(H2,24,25,26,27,29)
InChIKeyPDWKMGOYZHJDNL-UHFFFAOYSA-N
XLogP4.81
TPSA115.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one (CID 58935787) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Sc3nc(Nc4cc(C5CC5)[nH]n4)cc(-c4ccccc4)n3)ccc12.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
The InChIKey is PDWKMGOYZHJDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c31-22-16-9-8-15(10-19(16)28-30-22)32-23-24-17(13-4-2-1-3-5-13)11-20(26-23)25-21-12-18(27-29-21)14-6-7-14/h1-5,8-12,14H,6-7H2,(H2,28,30,31)(H2,24,25,26,27,29).
What are the key properties of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one?
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one has a molecular weight of 441.52 g/mol, XLogP of 4.81, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanyl-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).