6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C19H24ClN7O2 — CID 139479919

IUPAC6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)NC21CCCN(C(C)C)C1
InChIInChI=1S/C19H24ClN7O2/c1-10(2)26-6-4-5-19(8-26)25-17(28)14-11(3)7-12(18(29)27(14)19)24-16-13(20)15(21)22-9-23-16/h7,9-10H,4-6,8H2,1-3H3,(H,25,28)(H3,21,22,23,24)
InChIKeyDYNTWQGFHBYQOY-UHFFFAOYSA-N
MW417.90 g/mol
LogP1.83
Rot. Bonds3

About 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 139479919) has the molecular formula C19H24ClN7O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID139479919
Molecular FormulaC19H24ClN7O2
Molecular Weight417.90 g/mol
Exact Mass417.17
IUPAC Name6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESCc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)NC21CCCN(C(C)C)C1
InChIInChI=1S/C19H24ClN7O2/c1-10(2)26-6-4-5-19(8-26)25-17(28)14-11(3)7-12(18(29)27(14)19)24-16-13(20)15(21)22-9-23-16/h7,9-10H,4-6,8H2,1-3H3,(H,25,28)(H3,21,22,23,24)
InChIKeyDYNTWQGFHBYQOY-UHFFFAOYSA-N
XLogP1.83
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 139479919) is 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is Cc1cc(Nc2ncnc(N)c2Cl)c(=O)n2c1C(=O)NC21CCCN(C(C)C)C1.
What is the InChIKey of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is DYNTWQGFHBYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O2/c1-10(2)26-6-4-5-19(8-26)25-17(28)14-11(3)7-12(18(29)27(14)19)24-16-13(20)15(21)22-9-23-16/h7,9-10H,4-6,8H2,1-3H3,(H,25,28)(H3,21,22,23,24).
What are the key properties of 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 417.90 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-amino-5-chloropyrimidin-4-yl)amino]-8-methyl-1'-propan-2-ylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 139479919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).