N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide

C23H19F3N4O2 — CID 168873147

IUPACN-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide
SMILESO=CN(c1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C1CC(O)C1
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)16-2-4-17(5-3-16)30-12-15(10-28-30)14-1-6-21-20(7-14)22(11-27-21)29(13-31)18-8-19(32)9-18/h1-7,10-13,18-19,27,32H,8-9H2
InChIKeyDYLMGMOWRMIDMK-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.53
Rot. Bonds5

About N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide

N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide (PubChem CID 168873147) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide
PubChem CID168873147
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide
SMILESO=CN(c1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C1CC(O)C1
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)16-2-4-17(5-3-16)30-12-15(10-28-30)14-1-6-21-20(7-14)22(11-27-21)29(13-31)18-8-19(32)9-18/h1-7,10-13,18-19,27,32H,8-9H2
InChIKeyDYLMGMOWRMIDMK-UHFFFAOYSA-N
XLogP4.53
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide (CID 168873147) is N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide is O=CN(c1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C1CC(O)C1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide?
The InChIKey is DYLMGMOWRMIDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-23(25,26)16-2-4-17(5-3-16)30-12-15(10-28-30)14-1-6-21-20(7-14)22(11-27-21)29(13-31)18-8-19(32)9-18/h1-7,10-13,18-19,27,32H,8-9H2.
What are the key properties of N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide?
N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide has a molecular weight of 440.43 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]formamide is sourced from PubChem (CID 168873147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).