2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one

C19H20N8O — CID 53235515

IUPAC2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESNc1ncc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1
InChIInChI=1S/C19H20N8O/c20-18-23-8-11(9-24-18)16-22-4-1-13(27-16)14-7-12-15(26-14)19(10-25-17(12)28)2-5-21-6-3-19/h1,4,7-9,21,26H,2-3,5-6,10H2,(H,25,28)(H2,20,23,24)
InChIKeyUEEGPWPCUKOTQB-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.88
Rot. Bonds2

About 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one

2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (PubChem CID 53235515) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
PubChem CID53235515
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESNc1ncc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1
InChIInChI=1S/C19H20N8O/c20-18-23-8-11(9-24-18)16-22-4-1-13(27-16)14-7-12-15(26-14)19(10-25-17(12)28)2-5-21-6-3-19/h1,4,7-9,21,26H,2-3,5-6,10H2,(H,25,28)(H2,20,23,24)
InChIKeyUEEGPWPCUKOTQB-UHFFFAOYSA-N
XLogP0.88
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (CID 53235515) is 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is Nc1ncc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1.
What is the InChIKey of 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The InChIKey is UEEGPWPCUKOTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c20-18-23-8-11(9-24-18)16-22-4-1-13(27-16)14-7-12-15(26-14)19(10-25-17(12)28)2-5-21-6-3-19/h1,4,7-9,21,26H,2-3,5-6,10H2,(H,25,28)(H2,20,23,24).
What are the key properties of 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one has a molecular weight of 376.42 g/mol, XLogP of 0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopyrimidin-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is sourced from PubChem (CID 53235515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).