pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone

C19H20N6O — CID 66653851

IUPACpyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1
InChIInChI=1S/C19H20N6O/c26-18(14-1-6-20-7-2-14)25-10-9-24(11-19(12-25)4-5-19)17-15-3-8-21-16(15)22-13-23-17/h1-3,6-8,13H,4-5,9-12H2,(H,21,22,23)
InChIKeyWAVUBNSFMGIPDX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.10
Rot. Bonds2

About pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone

pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone (PubChem CID 66653851) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
PubChem CID66653851
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Namepyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1
InChIInChI=1S/C19H20N6O/c26-18(14-1-6-20-7-2-14)25-10-9-24(11-19(12-25)4-5-19)17-15-3-8-21-16(15)22-13-23-17/h1-3,6-8,13H,4-5,9-12H2,(H,21,22,23)
InChIKeyWAVUBNSFMGIPDX-UHFFFAOYSA-N
XLogP2.10
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
The IUPAC name of pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone (CID 66653851) is pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
The canonical SMILES for pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone is O=C(c1ccncc1)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1.
What is the InChIKey of pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
The InChIKey is WAVUBNSFMGIPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-18(14-1-6-20-7-2-14)25-10-9-24(11-19(12-25)4-5-19)17-15-3-8-21-16(15)22-13-23-17/h1-3,6-8,13H,4-5,9-12H2,(H,21,22,23).
What are the key properties of pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone?
pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone is sourced from PubChem (CID 66653851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).