N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol

C25H33N7O3 — CID 142318310

IUPACN-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol
SMILESCC(=O)Nc1cn2ccc(CCC3CCC(n4ccc5c(N)ncnc54)C3)cc2n1.CC(C)(O)O
InChIInChI=1S/C22H25N7O.C3H8O2/c1-14(30)26-19-12-28-8-6-16(11-20(28)27-19)3-2-15-4-5-17(10-15)29-9-7-18-21(23)24-13-25-22(18)29;1-3(2,4)5/h6-9,11-13,15,17H,2-5,10H2,1H3,(H,26,30)(H2,23,24,25);4-5H,1-2H3
InChIKeyNDALRWXCFPKJMS-UHFFFAOYSA-N
MW479.59 g/mol
LogP3.30
Rot. Bonds5

About N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol

N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol (PubChem CID 142318310) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol.

Molecular Properties

Compound NameN-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol
PubChem CID142318310
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol
SMILESCC(=O)Nc1cn2ccc(CCC3CCC(n4ccc5c(N)ncnc54)C3)cc2n1.CC(C)(O)O
InChIInChI=1S/C22H25N7O.C3H8O2/c1-14(30)26-19-12-28-8-6-16(11-20(28)27-19)3-2-15-4-5-17(10-15)29-9-7-18-21(23)24-13-25-22(18)29;1-3(2,4)5/h6-9,11-13,15,17H,2-5,10H2,1H3,(H,26,30)(H2,23,24,25);4-5H,1-2H3
InChIKeyNDALRWXCFPKJMS-UHFFFAOYSA-N
XLogP3.30
TPSA143.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol with MolForge

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Related Compounds

7-(3-but-3-enylcyclopentyl)pyrrolo[2,3-d]pyrimidin-4-amine;propane-2,2-diol
CID 142318317
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine
CID 145263806
7-[2-[(1R,3S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclopentylquinolin-2-amine
CID 155315707
7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-chloroquinolin-2-amine
CID 126638050
7-[3-[2-(6-amino-3-pyridinyl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134417070
8-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-2,2-dimethyl-1,3-dihydroimidazo[2,1-b]quinazolin-5-one
CID 138712551
7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175
7-[3-[2-(2,2-dimethyl-1,3-dihydropyrrolo[2,3-b]quinolin-7-yl)ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155362929
7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-cyclobutylquinolin-2-amine;propane-2,2-diol
CID 145263938
7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-N-(2,2,2-trifluoroethyl)quinolin-2-amine;propane-2,2-diol
CID 145263868
7-[3-[2-[(2S)-2-methyl-3,4-dihydro-2H-[1,4]oxazino[3,2-b]quinolin-7-yl]ethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 138712581

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol?
The IUPAC name of N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol (CID 142318310) is N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol.
What is the SMILES notation for N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol?
The canonical SMILES for N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol is CC(=O)Nc1cn2ccc(CCC3CCC(n4ccc5c(N)ncnc54)C3)cc2n1.CC(C)(O)O.
What is the InChIKey of N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol?
The InChIKey is NDALRWXCFPKJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O.C3H8O2/c1-14(30)26-19-12-28-8-6-16(11-20(28)27-19)3-2-15-4-5-17(10-15)29-9-7-18-21(23)24-13-25-22(18)29;1-3(2,4)5/h6-9,11-13,15,17H,2-5,10H2,1H3,(H,26,30)(H2,23,24,25);4-5H,1-2H3.
What are the key properties of N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol?
N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol has a molecular weight of 479.59 g/mol, XLogP of 3.30, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]imidazo[1,2-a]pyridin-2-yl]acetamide;propane-2,2-diol is sourced from PubChem (CID 142318310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).