8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C19H22ClN5O3 — CID 118599080

IUPAC8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCC(C)Oc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C19H22ClN5O3/c1-11(2)28-14-9-21-10-22-16(14)23-13-8-12(20)15-17(26)24-19(25(15)18(13)27)6-4-3-5-7-19/h8-11H,3-7H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyDPXADVRYWJJDPN-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.18
Rot. Bonds4

About 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118599080) has the molecular formula C19H22ClN5O3 and a molecular weight of 403.87 g/mol. Its IUPAC name is 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118599080
Molecular FormulaC19H22ClN5O3
Molecular Weight403.87 g/mol
Exact Mass403.14
IUPAC Name8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCC(C)Oc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O
InChIInChI=1S/C19H22ClN5O3/c1-11(2)28-14-9-21-10-22-16(14)23-13-8-12(20)15-17(26)24-19(25(15)18(13)27)6-4-3-5-7-19/h8-11H,3-7H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyDPXADVRYWJJDPN-UHFFFAOYSA-N
XLogP3.18
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118599080) is 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is CC(C)Oc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O.
What is the InChIKey of 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is DPXADVRYWJJDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3/c1-11(2)28-14-9-21-10-22-16(14)23-13-8-12(20)15-17(26)24-19(25(15)18(13)27)6-4-3-5-7-19/h8-11H,3-7H2,1-2H3,(H,24,26)(H,21,22,23).
What are the key properties of 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 403.87 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[(5-propan-2-yloxypyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118599080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).