acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol

C20H24ClN5O2 — CID 155706333

IUPACacetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol
SMILESCC(N)=O.Nc1ncnc2c1ccn2C1CCC(C(O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN4O.C2H5NO/c19-13-4-1-11(2-5-13)16(24)12-3-6-14(9-12)23-8-7-15-17(20)21-10-22-18(15)23;1-2(3)4/h1-2,4-5,7-8,10,12,14,16,24H,3,6,9H2,(H2,20,21,22);1H3,(H2,3,4)
InChIKeyNDICBLKLTGICBN-UHFFFAOYSA-N
MW401.90 g/mol
LogP3.23
Rot. Bonds3

About acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol

acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol (PubChem CID 155706333) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Nameacetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol
PubChem CID155706333
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Nameacetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol
SMILESCC(N)=O.Nc1ncnc2c1ccn2C1CCC(C(O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN4O.C2H5NO/c19-13-4-1-11(2-5-13)16(24)12-3-6-14(9-12)23-8-7-15-17(20)21-10-22-18(15)23;1-2(3)4/h1-2,4-5,7-8,10,12,14,16,24H,3,6,9H2,(H2,20,21,22);1H3,(H2,3,4)
InChIKeyNDICBLKLTGICBN-UHFFFAOYSA-N
XLogP3.23
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-[(4-chlorophenyl)methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 142419646
(1R,2S,3R,5R)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-chlorophenyl)-hydroxymethyl]cyclopentane-1,2-diol
CID 135318860
[(3aS,4R,6R,6aR)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-(4-chlorophenyl)methanol
CID 135318307
N-[7-[3-[(4-chloro-3-fluorophenyl)-hydroxymethyl]cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylprop-2-enamide
CID 142419611
7-[3-(methylaminomethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 123569823
7-[3-(4-aminobutyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167462175
7-(3-but-3-enylcyclopentyl)pyrrolo[2,3-d]pyrimidin-4-amine;propane-2,2-diol
CID 142318317
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[1-(4-chlorophenyl)ethyl]oxolane-3,4-diol;hydrochloride
CID 155169693
2-[[1-[3-[(4-chlorophenyl)-hydroxymethyl]cyclopentyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetonitrile
CID 142419678
7-[3-(3-methylphenyl)cyclopentyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 167461204
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
(1S,2R,3R,5R)-3-[amino-(4-chlorophenyl)methyl]-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
CID 135319119

Frequently Asked Questions

What is the IUPAC name of acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol?
The IUPAC name of acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol (CID 155706333) is acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol.
What is the SMILES notation for acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol?
The canonical SMILES for acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol is CC(N)=O.Nc1ncnc2c1ccn2C1CCC(C(O)c2ccc(Cl)cc2)C1.
What is the InChIKey of acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol?
The InChIKey is NDICBLKLTGICBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O.C2H5NO/c19-13-4-1-11(2-5-13)16(24)12-3-6-14(9-12)23-8-7-15-17(20)21-10-22-18(15)23;1-2(3)4/h1-2,4-5,7-8,10,12,14,16,24H,3,6,9H2,(H2,20,21,22);1H3,(H2,3,4).
What are the key properties of acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol?
acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol has a molecular weight of 401.90 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 155706333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).