CID 167457399

C19H22N6O2 — CID 167457399

IUPAC—
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC2(CCC2)C1
InChIInChI=1S/C19H22N6O2/c1-11-7-12(23-14-8-13(20)21-10-22-14)17(27)25-15(11)16(26)24-19(25)6-5-18(9-19)3-2-4-18/h7-8,10H,2-6,9H2,1H3,(H,24,26)(H3,20,21,22,23)
InChIKeyDKZJWDRREYQEND-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.02
Rot. Bonds2

About CID 167457399

CID 167457399 (PubChem CID 167457399) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol.

Molecular Properties

Compound NameCID 167457399
PubChem CID167457399
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name—
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC2(CCC2)C1
InChIInChI=1S/C19H22N6O2/c1-11-7-12(23-14-8-13(20)21-10-22-14)17(27)25-15(11)16(26)24-19(25)6-5-18(9-19)3-2-4-18/h7-8,10H,2-6,9H2,1H3,(H,24,26)(H3,20,21,22,23)
InChIKeyDKZJWDRREYQEND-UHFFFAOYSA-N
XLogP2.02
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 166460731
CID 166460731
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
CID 167457384
CID 167457384
CID 130444088
CID 130444088
CID 178083822
CID 178083822
CID 178083674
CID 178083674
6-[(6-aminopyrimidin-4-yl)amino]-7'-fluoro-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457420
6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-1'-propylspiro[2H-imidazo[1,5-a]pyridine-3,7'-cycloheptene]-1,5-dione
CID 162740187
11-[(6-aminopyrimidin-4-yl)amino]-13-methylspiro[2,3,4,5,7,8-hexahydropyrido[1,2-a][1,4]diazecine-6,1'-cyclopropane]-1,10-dione
CID 167283236
CID 166460764
CID 166460764
6-[(6-aminopyrimidin-4-yl)amino]-1'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cycloheptene]-1,5-dione
CID 167457437
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

Frequently Asked Questions

What is the IUPAC name of CID 167457399?
The IUPAC name of CID 167457399 (CID 167457399) is not available.
What is the SMILES notation for CID 167457399?
The canonical SMILES for CID 167457399 is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC2(CCC2)C1.
What is the InChIKey of CID 167457399?
The InChIKey is DKZJWDRREYQEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-11-7-12(23-14-8-13(20)21-10-22-14)17(27)25-15(11)16(26)24-19(25)6-5-18(9-19)3-2-4-18/h7-8,10H,2-6,9H2,1H3,(H,24,26)(H3,20,21,22,23).
What are the key properties of CID 167457399?
CID 167457399 has a molecular weight of 366.43 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167457399 is sourced from PubChem (CID 167457399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).