6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C18H21F2N5O2 — CID 162650689

IUPAC6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2cn(C)nc2C(F)F)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C18H21F2N5O2/c1-10-8-11(21-12-9-24(2)23-13(12)15(19)20)17(27)25-14(10)16(26)22-18(25)6-4-3-5-7-18/h8-9,15,21H,3-7H2,1-2H3,(H,22,26)
InChIKeyDVCAXARRXCPWLC-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.93
Rot. Bonds3

About 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 162650689) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID162650689
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2cn(C)nc2C(F)F)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C18H21F2N5O2/c1-10-8-11(21-12-9-24(2)23-13(12)15(19)20)17(27)25-14(10)16(26)22-18(25)6-4-3-5-7-18/h8-9,15,21H,3-7H2,1-2H3,(H,22,26)
InChIKeyDVCAXARRXCPWLC-UHFFFAOYSA-N
XLogP2.93
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
2-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]pyridine-3-carboxylic acid
CID 175918653
8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 135259019
2-[6-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]purin-9-yl]acetic acid
CID 135259067
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
CID 166460731
CID 166460731
6-[[2-[(2,4-dimethoxyphenyl)methylamino]-5-methyl-4-pyridinyl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 166877743
8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 142402558
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 178083674
CID 178083674

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 162650689) is 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2cn(C)nc2C(F)F)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is DVCAXARRXCPWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-10-8-11(21-12-9-24(2)23-13(12)15(19)20)17(27)25-14(10)16(26)22-18(25)6-4-3-5-7-18/h8-9,15,21H,3-7H2,1-2H3,(H,22,26).
What are the key properties of 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 377.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 162650689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).