1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone

C27H31N7O2 — CID 170739913

IUPAC1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(c3cccc4cnc(Nc5ccc(N6CC7(COC7)C6)cn5)nc34)C2)C1
InChIInChI=1S/C27H31N7O2/c1-19(35)32-9-7-26(13-32)8-10-33(14-26)22-4-2-3-20-11-29-25(31-24(20)22)30-23-6-5-21(12-28-23)34-15-27(16-34)17-36-18-27/h2-6,11-12H,7-10,13-18H2,1H3,(H,28,29,30,31)
InChIKeyZDPKTGXZXRQNHZ-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.05
Rot. Bonds4

About 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone

1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone (PubChem CID 170739913) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
PubChem CID170739913
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(c3cccc4cnc(Nc5ccc(N6CC7(COC7)C6)cn5)nc34)C2)C1
InChIInChI=1S/C27H31N7O2/c1-19(35)32-9-7-26(13-32)8-10-33(14-26)22-4-2-3-20-11-29-25(31-24(20)22)30-23-6-5-21(12-28-23)34-15-27(16-34)17-36-18-27/h2-6,11-12H,7-10,13-18H2,1H3,(H,28,29,30,31)
InChIKeyZDPKTGXZXRQNHZ-UHFFFAOYSA-N
XLogP3.05
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-8-(2-methoxy-2,6-diazaspiro[3.3]heptan-6-yl)quinazolin-2-amine
CID 171056989
9-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrrolo[3,2-h]quinazolin-2-amine
CID 167655081
1-ethyl-N-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[4,5-h]quinazolin-8-amine
CID 154938985
1-[7-(4-aminophenyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 142395454
1-[4-[6-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155470839
1-[4-[6-[(5,5-dimethyl-6-methylidene-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 58015858
2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]quinazolin-8-yl]-2-azaspiro[3.3]heptan-6-ol
CID 170739922
8-[amino(2-methylpropyl)amino]-2-N-(5-morpholin-4-yl-2-pyridinyl)quinazoline-2,7-diamine
CID 167046550
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
methyl 4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzoate
CID 138543041
1-[7-[1-(aminomethyl)cyclohexyl]-2-[[5-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]ethanone
CID 123827312
7-cyclopentyl-N,N-dimethyl-2-[[5-[3-(2-oxospiro[1H-indole-3,1'-cyclopropane]-4-yl)-3,9-diazaspiro[5.5]undecan-9-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178005481

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
The IUPAC name of 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone (CID 170739913) is 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
The canonical SMILES for 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone is CC(=O)N1CCC2(CCN(c3cccc4cnc(Nc5ccc(N6CC7(COC7)C6)cn5)nc34)C2)C1.
What is the InChIKey of 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
The InChIKey is ZDPKTGXZXRQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-19(35)32-9-7-26(13-32)8-10-33(14-26)22-4-2-3-20-11-29-25(31-24(20)22)30-23-6-5-21(12-28-23)34-15-27(16-34)17-36-18-27/h2-6,11-12H,7-10,13-18H2,1H3,(H,28,29,30,31).
What are the key properties of 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone has a molecular weight of 485.59 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-[[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]quinazolin-8-yl]-2,7-diazaspiro[4.4]nonan-2-yl]ethanone is sourced from PubChem (CID 170739913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).