2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]

C24H27N5O2 — CID 150614082

IUPAC2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
SMILESC1=NC2=C(CN1c1ccc(N3CCNCC3)cn1)c1ccccc1OC21CCOCC1
InChIInChI=1S/C24H27N5O2/c1-2-4-21-19(3-1)20-16-29(17-27-23(20)24(31-21)7-13-30-14-8-24)22-6-5-18(15-26-22)28-11-9-25-10-12-28/h1-6,15,17,25H,7-14,16H2
InChIKeyIUNCOKGWXPPTKT-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.69
Rot. Bonds2

About 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]

2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] (PubChem CID 150614082) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane].

Molecular Properties

Compound Name2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
PubChem CID150614082
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
SMILESC1=NC2=C(CN1c1ccc(N3CCNCC3)cn1)c1ccccc1OC21CCOCC1
InChIInChI=1S/C24H27N5O2/c1-2-4-21-19(3-1)20-16-29(17-27-23(20)24(31-21)7-13-30-14-8-24)22-6-5-18(15-26-22)28-11-9-25-10-12-28/h1-6,15,17,25H,7-14,16H2
InChIKeyIUNCOKGWXPPTKT-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] with MolForge

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Related Compounds

2-(2-piperazin-1-ylpyrimidin-5-yl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]
CID 151936519
2-(5-piperazin-1-yl-2-pyridinyl)isoindole-1,3-dione
CID 130622966
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
N,N-dimethyl-5-piperazin-1-ylpyridin-2-amine
CID 152925430
N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119494479
N-methyl-N-(3-morpholin-4-ylpropyl)-5-piperazin-1-ylpyridin-2-amine
CID 68513308
1-[6-(1,3-dioxolan-2-yl)-3-pyridinyl]piperazine
CID 130955693
5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 117212437
4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68734345
tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 66863782
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
The IUPAC name of 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] (CID 150614082) is 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane].
What is the SMILES notation for 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
The canonical SMILES for 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] is C1=NC2=C(CN1c1ccc(N3CCNCC3)cn1)c1ccccc1OC21CCOCC1.
What is the InChIKey of 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
The InChIKey is IUNCOKGWXPPTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-4-21-19(3-1)20-16-29(17-27-23(20)24(31-21)7-13-30-14-8-24)22-6-5-18(15-26-22)28-11-9-25-10-12-28/h1-6,15,17,25H,7-14,16H2.
What are the key properties of 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane]?
2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] has a molecular weight of 417.51 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperazin-1-yl-2-pyridinyl)spiro[1H-chromeno[3,4-d]pyrimidine-5,4'-oxane] is sourced from PubChem (CID 150614082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).