[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol

C21H18ClN5O3 — CID 157118202

IUPAC[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESOCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1
InChIInChI=1S/C21H18ClN5O3/c22-12-5-11-6-18(21-15-9-23-3-1-16(15)26-30-21)29-20(11)14(7-12)17-2-4-24-19-8-13(10-28)25-27(17)19/h2,4-5,7-8,18,23,28H,1,3,6,9-10H2
InChIKeyNJCBDQJVEDXZPH-UHFFFAOYSA-N
MW423.86 g/mol
LogP2.85
Rot. Bonds3

About [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol

[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 157118202) has the molecular formula C21H18ClN5O3 and a molecular weight of 423.86 g/mol. Its IUPAC name is [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID157118202
Molecular FormulaC21H18ClN5O3
Molecular Weight423.86 g/mol
Exact Mass423.11
IUPAC Name[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESOCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1
InChIInChI=1S/C21H18ClN5O3/c22-12-5-11-6-18(21-15-9-23-3-1-16(15)26-30-21)29-20(11)14(7-12)17-2-4-24-19-8-13(10-28)25-27(17)19/h2,4-5,7-8,18,23,28H,1,3,6,9-10H2
InChIKeyNJCBDQJVEDXZPH-UHFFFAOYSA-N
XLogP2.85
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The IUPAC name of [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol (CID 157118202) is [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol is OCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.
What is the InChIKey of [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is NJCBDQJVEDXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O3/c22-12-5-11-6-18(21-15-9-23-3-1-16(15)26-30-21)29-20(11)14(7-12)17-2-4-24-19-8-13(10-28)25-27(17)19/h2,4-5,7-8,18,23,28H,1,3,6,9-10H2.
What are the key properties of [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol?
[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 423.86 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 157118202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).