CID 166460720

C25H30F2N6O3 — CID 166460720

IUPAC—
SMILESCC.Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CC2(F)F
InChIInChI=1S/C23H24F2N6O3.C2H6/c1-12-8-14(28-15-9-16(27-11-26-15)29-18(32)13-2-3-13)20(34)31-17(12)19(33)30-22(31)6-4-21(5-7-22)10-23(21,24)25;1-2/h8-9,11,13H,2-7,10H2,1H3,(H,30,33)(H2,26,27,28,29,32);1-2H3
InChIKeyQJUMTRABFJZYBC-UHFFFAOYSA-N
MW500.55 g/mol
LogP4.06
Rot. Bonds4

About CID 166460720

CID 166460720 (PubChem CID 166460720) has the molecular formula C25H30F2N6O3 and a molecular weight of 500.55 g/mol.

Molecular Properties

Compound NameCID 166460720
PubChem CID166460720
Molecular FormulaC25H30F2N6O3
Molecular Weight500.55 g/mol
Exact Mass500.23
IUPAC Name—
SMILESCC.Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CC2(F)F
InChIInChI=1S/C23H24F2N6O3.C2H6/c1-12-8-14(28-15-9-16(27-11-26-15)29-18(32)13-2-3-13)20(34)31-17(12)19(33)30-22(31)6-4-21(5-7-22)10-23(21,24)25;1-2/h8-9,11,13H,2-7,10H2,1H3,(H,30,33)(H2,26,27,28,29,32);1-2H3
InChIKeyQJUMTRABFJZYBC-UHFFFAOYSA-N
XLogP4.06
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 166460767
CID 166460767
CID 166460764
CID 166460764
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
CID 172572700
CID 172572700
N-[6-[(1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl)amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 118598914
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methylpyrimidin-4-yl]cyclopropanecarboxamide
CID 118598643
N-[5-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 162431109
CID 166460731
CID 166460731
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140
N-[6-[[1'-(2,2-difluoroethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]-5-methoxypyrimidin-4-yl]cyclopropanecarboxamide
CID 118598928
CID 167457384
CID 167457384

Frequently Asked Questions

What is the IUPAC name of CID 166460720?
The IUPAC name of CID 166460720 (CID 166460720) is not available.
What is the SMILES notation for CID 166460720?
The canonical SMILES for CID 166460720 is CC.Cc1cc(Nc2cc(NC(=O)C3CC3)ncn2)c(=O)n2c1C(=O)NC21CCC2(CC1)CC2(F)F.
What is the InChIKey of CID 166460720?
The InChIKey is QJUMTRABFJZYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O3.C2H6/c1-12-8-14(28-15-9-16(27-11-26-15)29-18(32)13-2-3-13)20(34)31-17(12)19(33)30-22(31)6-4-21(5-7-22)10-23(21,24)25;1-2/h8-9,11,13H,2-7,10H2,1H3,(H,30,33)(H2,26,27,28,29,32);1-2H3.
What are the key properties of CID 166460720?
CID 166460720 has a molecular weight of 500.55 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460720 is sourced from PubChem (CID 166460720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).