N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide

C23H23N7O2 — CID 57477318

IUPACN-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)C3(CC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C23H23N7O2/c1-15(31)26-22-27-20-18(6-9-25-20)21(28-22)29-10-11-30(23(14-29)7-8-23)19(32)12-16-2-4-17(13-24)5-3-16/h2-6,9H,7-8,10-12,14H2,1H3,(H2,25,26,27,28,31)
InChIKeyAAYIEDUYMPUKGH-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.21
Rot. Bonds4

About N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide

N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 57477318) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID57477318
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)C3(CC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C23H23N7O2/c1-15(31)26-22-27-20-18(6-9-25-20)21(28-22)29-10-11-30(23(14-29)7-8-23)19(32)12-16-2-4-17(13-24)5-3-16/h2-6,9H,7-8,10-12,14H2,1H3,(H2,25,26,27,28,31)
InChIKeyAAYIEDUYMPUKGH-UHFFFAOYSA-N
XLogP2.21
TPSA118.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide (CID 57477318) is N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)C3(CC3)C2)c2cc[nH]c2n1.
What is the InChIKey of N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is AAYIEDUYMPUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15(31)26-22-27-20-18(6-9-25-20)21(28-22)29-10-11-30(23(14-29)7-8-23)19(32)12-16-2-4-17(13-24)5-3-16/h2-6,9H,7-8,10-12,14H2,1H3,(H2,25,26,27,28,31).
What are the key properties of N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide?
N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-cyanophenyl)acetyl]-4,7-diazaspiro[2.5]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 57477318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).