[6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate

C20H17FN6O4 — CID 175306238

IUPAC[6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate
SMILESCc1cc(Nc2cc(OC(N)=O)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
InChIInChI=1S/C20H17FN6O4/c1-10-6-13(25-14-8-15(24-9-23-14)31-19(22)30)18(29)27-16(10)17(28)26-20(27,2)11-4-3-5-12(21)7-11/h3-9H,1-2H3,(H2,22,30)(H,26,28)(H,23,24,25)
InChIKeyBIWWRAMQPHONEN-UHFFFAOYSA-N
MW424.39 g/mol
LogP1.75
Rot. Bonds4

About [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate

[6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate (PubChem CID 175306238) has the molecular formula C20H17FN6O4 and a molecular weight of 424.39 g/mol. Its IUPAC name is [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate.

Molecular Properties

Compound Name[6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate
PubChem CID175306238
Molecular FormulaC20H17FN6O4
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name[6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate
SMILESCc1cc(Nc2cc(OC(N)=O)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1
InChIInChI=1S/C20H17FN6O4/c1-10-6-13(25-14-8-15(24-9-23-14)31-19(22)30)18(29)27-16(10)17(28)26-20(27,2)11-4-3-5-12(21)7-11/h3-9H,1-2H3,(H2,22,30)(H,26,28)(H,23,24,25)
InChIKeyBIWWRAMQPHONEN-UHFFFAOYSA-N
XLogP1.75
TPSA141.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate with MolForge

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Related Compounds

N-[6-[[8-chloro-3-methyl-3-(3-methylphenyl)-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598735
6-[[6-(ethylamino)pyrimidin-4-yl]amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 172572669
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
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
(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
N-[6-[[8-chloro-3-methyl-1,5-dioxo-3-[3-(trifluoromethyl)phenyl]-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]spiro[2.3]hexane-2-carboxamide
CID 139387357
CID 166460731
CID 166460731
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 167457399
CID 167457399
CID 166460720
CID 166460720
6-[(6-aminopyrimidin-4-yl)amino]-5'-cyclopropyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclohexene]-1,5-dione
CID 167457391

Frequently Asked Questions

What is the IUPAC name of [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate?
The IUPAC name of [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate (CID 175306238) is [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate.
What is the SMILES notation for [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate?
The canonical SMILES for [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate is Cc1cc(Nc2cc(OC(N)=O)ncn2)c(=O)n2c1C(=O)NC2(C)c1cccc(F)c1.
What is the InChIKey of [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate?
The InChIKey is BIWWRAMQPHONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O4/c1-10-6-13(25-14-8-15(24-9-23-14)31-19(22)30)18(29)27-16(10)17(28)26-20(27,2)11-4-3-5-12(21)7-11/h3-9H,1-2H3,(H2,22,30)(H,26,28)(H,23,24,25).
What are the key properties of [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate?
[6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate has a molecular weight of 424.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[3-(3-fluorophenyl)-3,8-dimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl] carbamate is sourced from PubChem (CID 175306238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).