cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone

C22H24N8O — CID 90159114

IUPACcyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
SMILESCCn1c(-c2cnc3[nH]ccc3c2)nc2c(NC3CCN(C(=O)C4CC4)C3)ncnc21
InChIInChI=1S/C22H24N8O/c1-2-30-20(15-9-14-5-7-23-18(14)24-10-15)28-17-19(25-12-26-21(17)30)27-16-6-8-29(11-16)22(31)13-3-4-13/h5,7,9-10,12-13,16H,2-4,6,8,11H2,1H3,(H,23,24)(H,25,26,27)
InChIKeyQUZFQHXDLYRDMP-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.81
Rot. Bonds5

About cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 90159114) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
PubChem CID90159114
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Namecyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
SMILESCCn1c(-c2cnc3[nH]ccc3c2)nc2c(NC3CCN(C(=O)C4CC4)C3)ncnc21
InChIInChI=1S/C22H24N8O/c1-2-30-20(15-9-14-5-7-23-18(14)24-10-15)28-17-19(25-12-26-21(17)30)27-16-6-8-29(11-16)22(31)13-3-4-13/h5,7,9-10,12-13,16H,2-4,6,8,11H2,1H3,(H,23,24)(H,25,26,27)
InChIKeyQUZFQHXDLYRDMP-UHFFFAOYSA-N
XLogP2.81
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-[[8-(5-chloro-3-pyridinyl)-9-ethylpurin-6-yl]amino]pyrrolidin-1-yl]-cyclopropylmethanone
CID 90158738
(3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 74762800
[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 90168621
[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 74763004
cyclopropyl-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone;N-(2-hydroxyethyl)formamide
CID 144626878
[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 164622721
(3,3-difluorocyclobutyl)-[(3S)-3-[[9-ethyl-8-(6-methoxy-5-methyl-3-pyridinyl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168851
1-bicyclo[1.1.1]pentanyl-[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168617
(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 90168882
cyclopropyl-[(3S)-3-[[9-ethyl-8-[(3R)-3-hydroxypyrrolidin-1-yl]purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168966
1-[(3S)-3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]piperidin-1-yl]propan-1-one
CID 90168943
2-azabicyclo[3.1.0]hexan-6-yl-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90159001

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone (CID 90159114) is cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone is CCn1c(-c2cnc3[nH]ccc3c2)nc2c(NC3CCN(C(=O)C4CC4)C3)ncnc21.
What is the InChIKey of cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is QUZFQHXDLYRDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-2-30-20(15-9-14-5-7-23-18(14)24-10-15)28-17-19(25-12-26-21(17)30)27-16-6-8-29(11-16)22(31)13-3-4-13/h5,7,9-10,12-13,16H,2-4,6,8,11H2,1H3,(H,23,24)(H,25,26,27).
What are the key properties of cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[[9-ethyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 90159114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).