[4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid

C19H20N8O4 — CID 175381221

IUPAC[4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid
SMILESCc1cc(Nc2ccnc(NC(=O)O)n2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1
InChIInChI=1S/C19H20N8O4/c1-11-10-12(22-13-2-6-21-17(23-13)24-18(30)31)16(29)27-14(11)15(28)25-19(27)3-7-26(8-4-19)9-5-20/h2,6,10H,3-4,7-9H2,1H3,(H,25,28)(H,30,31)(H2,21,22,23,24)
InChIKeyXDSWIHCSGXAMCP-UHFFFAOYSA-N
MW424.42 g/mol
LogP0.80
Rot. Bonds4

About [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid

[4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid (PubChem CID 175381221) has the molecular formula C19H20N8O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid
PubChem CID175381221
Molecular FormulaC19H20N8O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name[4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid
SMILESCc1cc(Nc2ccnc(NC(=O)O)n2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1
InChIInChI=1S/C19H20N8O4/c1-11-10-12(22-13-2-6-21-17(23-13)24-18(30)31)16(29)27-14(11)15(28)25-19(27)3-7-26(8-4-19)9-5-20/h2,6,10H,3-4,7-9H2,1H3,(H,25,28)(H,30,31)(H2,21,22,23,24)
InChIKeyXDSWIHCSGXAMCP-UHFFFAOYSA-N
XLogP0.80
TPSA165.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid with MolForge

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Related Compounds

6-[(4-aminopyrimidin-2-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 162654959
1'-(1-hydroxyethyl)-8-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 163534048
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
CID 166460731
CID 166460731
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
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
CID 166460767
CID 166460767
1'-acetyl-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598994
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-(isocyanomethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 123831332
CID 166460720
CID 166460720
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-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 162431069

Frequently Asked Questions

What is the IUPAC name of [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid?
The IUPAC name of [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid (CID 175381221) is [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid.
What is the SMILES notation for [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid?
The canonical SMILES for [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid is Cc1cc(Nc2ccnc(NC(=O)O)n2)c(=O)n2c1C(=O)NC21CCN(CC#N)CC1.
What is the InChIKey of [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid?
The InChIKey is XDSWIHCSGXAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O4/c1-11-10-12(22-13-2-6-21-17(23-13)24-18(30)31)16(29)27-14(11)15(28)25-19(27)3-7-26(8-4-19)9-5-20/h2,6,10H,3-4,7-9H2,1H3,(H,25,28)(H,30,31)(H2,21,22,23,24).
What are the key properties of [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid?
[4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid has a molecular weight of 424.42 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1'-(cyanomethyl)-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-6-yl]amino]pyrimidin-2-yl]carbamic acid is sourced from PubChem (CID 175381221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).