(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

C24H30N4O2 — CID 166525523

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3cc(CO)[nH]n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H30N4O2/c1-16(2)17-5-7-19(8-6-17)24(30,23(3)14-28(4)15-23)20-9-18(11-25-12-20)22-10-21(13-29)26-27-22/h5-12,16,29-30H,13-15H2,1-4H3,(H,26,27)/t24-/m0/s1
InChIKeyWMWWDFWWCMJWCI-DEOSSOPVSA-N
MW406.53 g/mol
LogP3.28
Rot. Bonds6

About (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 166525523) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
PubChem CID166525523
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-c3cc(CO)[nH]n3)c2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H30N4O2/c1-16(2)17-5-7-19(8-6-17)24(30,23(3)14-28(4)15-23)20-9-18(11-25-12-20)22-10-21(13-29)26-27-22/h5-12,16,29-30H,13-15H2,1-4H3,(H,26,27)/t24-/m0/s1
InChIKeyWMWWDFWWCMJWCI-DEOSSOPVSA-N
XLogP3.28
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 166525523) is (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(-c3cc(CO)[nH]n3)c2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is WMWWDFWWCMJWCI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16(2)17-5-7-19(8-6-17)24(30,23(3)14-28(4)15-23)20-9-18(11-25-12-20)22-10-21(13-29)26-27-22/h5-12,16,29-30H,13-15H2,1-4H3,(H,26,27)/t24-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 406.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 166525523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).