4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine

C20H23N5 — CID 58293282

IUPAC4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(CN2CCCC23CCN(c2ncnc4[nH]ccc24)C3)cc1
InChIInChI=1S/C20H23N5/c1-2-5-16(6-3-1)13-25-11-4-8-20(25)9-12-24(14-20)19-17-7-10-21-18(17)22-15-23-19/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,21,22,23)
InChIKeyYMVMORMSSLIYAJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.20
Rot. Bonds3

About 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 58293282) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID58293282
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(CN2CCCC23CCN(c2ncnc4[nH]ccc24)C3)cc1
InChIInChI=1S/C20H23N5/c1-2-5-16(6-3-1)13-25-11-4-8-20(25)9-12-24(14-20)19-17-7-10-21-18(17)22-15-23-19/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,21,22,23)
InChIKeyYMVMORMSSLIYAJ-UHFFFAOYSA-N
XLogP3.20
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 58293282) is 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine is c1ccc(CN2CCCC23CCN(c2ncnc4[nH]ccc24)C3)cc1.
What is the InChIKey of 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YMVMORMSSLIYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-5-16(6-3-1)13-25-11-4-8-20(25)9-12-24(14-20)19-17-7-10-21-18(17)22-15-23-19/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,21,22,23).
What are the key properties of 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 333.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58293282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).