PILPWWKKHNWIMU-UHFFFAOYSA-N

C20H23FN4O — CID 118938705

IUPAC1-[5-[6-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2cc3cnn(C4CCCCO4)c3cc2F)c1
InChIInChI=1S/C20H23FN4O/c1-24(2)13-14-7-15(11-22-10-14)17-8-16-12-23-25(19(16)9-18(17)21)20-5-3-4-6-26-20/h7-12,20H,3-6,13H2,1-2H3
InChIKeyPILPWWKKHNWIMU-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.00
Rot. Bonds4

About PILPWWKKHNWIMU-UHFFFAOYSA-N

PILPWWKKHNWIMU-UHFFFAOYSA-N (PubChem CID 118938705) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[5-[6-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound NamePILPWWKKHNWIMU-UHFFFAOYSA-N
PubChem CID118938705
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name1-[5-[6-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cncc(-c2cc3cnn(C4CCCCO4)c3cc2F)c1
InChIInChI=1S/C20H23FN4O/c1-24(2)13-14-7-15(11-22-10-14)17-8-16-12-23-25(19(16)9-18(17)21)20-5-3-4-6-26-20/h7-12,20H,3-6,13H2,1-2H3
InChIKeyPILPWWKKHNWIMU-UHFFFAOYSA-N
XLogP4.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of PILPWWKKHNWIMU-UHFFFAOYSA-N?
The IUPAC name of PILPWWKKHNWIMU-UHFFFAOYSA-N (CID 118938705) is 1-[5-[6-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for PILPWWKKHNWIMU-UHFFFAOYSA-N?
The canonical SMILES for PILPWWKKHNWIMU-UHFFFAOYSA-N is CN(C)Cc1cncc(-c2cc3cnn(C4CCCCO4)c3cc2F)c1.
What is the InChIKey of PILPWWKKHNWIMU-UHFFFAOYSA-N?
The InChIKey is PILPWWKKHNWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-24(2)13-14-7-15(11-22-10-14)17-8-16-12-23-25(19(16)9-18(17)21)20-5-3-4-6-26-20/h7-12,20H,3-6,13H2,1-2H3.
What are the key properties of PILPWWKKHNWIMU-UHFFFAOYSA-N?
PILPWWKKHNWIMU-UHFFFAOYSA-N has a molecular weight of 354.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for PILPWWKKHNWIMU-UHFFFAOYSA-N is sourced from PubChem (CID 118938705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).