CID 167457384

C18H18F2N6O2 — CID 167457384

IUPAC—
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CC2(CC(F)(F)C2)C1
InChIInChI=1S/C18H18F2N6O2/c1-9-2-10(24-12-3-11(21)22-8-23-12)15(28)26-13(9)14(27)25-18(26)6-16(7-18)4-17(19,20)5-16/h2-3,8H,4-7H2,1H3,(H,25,27)(H3,21,22,23,24)
InChIKeyINFXNBNJSMKZJC-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.88
Rot. Bonds2

About CID 167457384

CID 167457384 (PubChem CID 167457384) has the molecular formula C18H18F2N6O2 and a molecular weight of 388.38 g/mol.

Molecular Properties

Compound NameCID 167457384
PubChem CID167457384
Molecular FormulaC18H18F2N6O2
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name—
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CC2(CC(F)(F)C2)C1
InChIInChI=1S/C18H18F2N6O2/c1-9-2-10(24-12-3-11(21)22-8-23-12)15(28)26-13(9)14(27)25-18(26)6-16(7-18)4-17(19,20)5-16/h2-3,8H,4-7H2,1H3,(H,25,27)(H3,21,22,23,24)
InChIKeyINFXNBNJSMKZJC-UHFFFAOYSA-N
XLogP1.88
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 167457399
CID 167457399
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
CID 166460731
CID 166460731
CID 178083822
CID 178083822
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598654
CID 130444088
CID 130444088
6-[(6-aminopyrimidin-4-yl)amino]-7'-fluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457420
CID 178083674
CID 178083674
CID 166460720
CID 166460720
(1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
CID 162431014
6-[(6-aminopyrimidin-4-yl)amino]-5'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclohexene]-1,5-dione
CID 167457391
6-[(6-aminopyrimidin-4-yl)amino]-1',7',7',8-tetramethylspiro[2H-imidazo[1,5-a]pyridine-3,2'-bicyclo[2.2.1]heptane]-1,5-dione
CID 177163117

Frequently Asked Questions

What is the IUPAC name of CID 167457384?
The IUPAC name of CID 167457384 (CID 167457384) is not available.
What is the SMILES notation for CID 167457384?
The canonical SMILES for CID 167457384 is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CC2(CC(F)(F)C2)C1.
What is the InChIKey of CID 167457384?
The InChIKey is INFXNBNJSMKZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O2/c1-9-2-10(24-12-3-11(21)22-8-23-12)15(28)26-13(9)14(27)25-18(26)6-16(7-18)4-17(19,20)5-16/h2-3,8H,4-7H2,1H3,(H,25,27)(H3,21,22,23,24).
What are the key properties of CID 167457384?
CID 167457384 has a molecular weight of 388.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167457384 is sourced from PubChem (CID 167457384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).