4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C14H15N5O — CID 177211836

IUPAC4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N3CCC4(CCOC4)C3)c12
InChIInChI=1S/C14H15N5O/c15-5-10-6-16-12-11(10)13(18-9-17-12)19-3-1-14(7-19)2-4-20-8-14/h6,9H,1-4,7-8H2,(H,16,17,18)
InChIKeyHXONADMJJIVHST-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.45
Rot. Bonds1

About 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 177211836) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID177211836
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c[nH]c2ncnc(N3CCC4(CCOC4)C3)c12
InChIInChI=1S/C14H15N5O/c15-5-10-6-16-12-11(10)13(18-9-17-12)19-3-1-14(7-19)2-4-20-8-14/h6,9H,1-4,7-8H2,(H,16,17,18)
InChIKeyHXONADMJJIVHST-UHFFFAOYSA-N
XLogP1.45
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211787
4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22484488
4-[3-amino-3-[(4-chloroanilino)methyl]pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 59671685
(5S)-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97010540
N-[[(3S)-3-amino-1-(5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2-chloro-4,5-difluorobenzamide
CID 69237595
4-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211750
5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile
CID 133491090
7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 84586688
2-amino-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 118708945
7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133493393
5-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 170439657
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 177211836) is 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c[nH]c2ncnc(N3CCC4(CCOC4)C3)c12.
What is the InChIKey of 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is HXONADMJJIVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-5-10-6-16-12-11(10)13(18-9-17-12)19-3-1-14(7-19)2-4-20-8-14/h6,9H,1-4,7-8H2,(H,16,17,18).
What are the key properties of 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 269.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 177211836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).