CID 178083674

C19H21BN6O2 — CID 178083674

IUPAC—
SMILES[B]c1nc(N)cc(Nc2cc(C)c3n(c2=O)C2(CCC4(CC4)CC2)NC3=O)n1
InChIInChI=1S/C19H21BN6O2/c1-10-8-11(22-13-9-12(21)23-17(20)24-13)16(28)26-14(10)15(27)25-19(26)6-4-18(2-3-18)5-7-19/h8-9H,2-7H2,1H3,(H,25,27)(H3,21,22,23,24)
InChIKeyCGGLUUFCNLBCSM-UHFFFAOYSA-N
MW376.23 g/mol
LogP0.82
Rot. Bonds2

About CID 178083674

CID 178083674 (PubChem CID 178083674) has the molecular formula C19H21BN6O2 and a molecular weight of 376.23 g/mol.

Molecular Properties

Compound NameCID 178083674
PubChem CID178083674
Molecular FormulaC19H21BN6O2
Molecular Weight376.23 g/mol
Exact Mass376.18
IUPAC Name—
SMILES[B]c1nc(N)cc(Nc2cc(C)c3n(c2=O)C2(CCC4(CC4)CC2)NC3=O)n1
InChIInChI=1S/C19H21BN6O2/c1-10-8-11(22-13-9-12(21)23-17(20)24-13)16(28)26-14(10)15(27)25-19(26)6-4-18(2-3-18)5-7-19/h8-9H,2-7H2,1H3,(H,25,27)(H3,21,22,23,24)
InChIKeyCGGLUUFCNLBCSM-UHFFFAOYSA-N
XLogP0.82
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 166460731
CID 166460731
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
6-[(6-amino-2-oxo-1H-pyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118604458
CID 178083822
CID 178083822
CID 167457384
CID 167457384
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione
CID 166460740
CID 166460764
CID 166460764
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118598679
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 172572670
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 178083674?
The IUPAC name of CID 178083674 (CID 178083674) is not available.
What is the SMILES notation for CID 178083674?
The canonical SMILES for CID 178083674 is [B]c1nc(N)cc(Nc2cc(C)c3n(c2=O)C2(CCC4(CC4)CC2)NC3=O)n1.
What is the InChIKey of CID 178083674?
The InChIKey is CGGLUUFCNLBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BN6O2/c1-10-8-11(22-13-9-12(21)23-17(20)24-13)16(28)26-14(10)15(27)25-19(26)6-4-18(2-3-18)5-7-19/h8-9H,2-7H2,1H3,(H,25,27)(H3,21,22,23,24).
What are the key properties of CID 178083674?
CID 178083674 has a molecular weight of 376.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178083674 is sourced from PubChem (CID 178083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).