1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide

C19H24N8O5 — CID 77497764

IUPAC1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2cnn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)c2)CCCC1
InChIInChI=1S/C19H24N8O5/c20-14-11-15(26(8-22-11)16-13(30)12(29)10(7-28)32-16)25-18(24-14)27-6-9(5-23-27)19(17(21)31)3-1-2-4-19/h5-6,8,10,12-13,16,28-30H,1-4,7H2,(H2,21,31)(H2,20,24,25)
InChIKeyBALHWTPGPVYMII-UHFFFAOYSA-N
MW444.45 g/mol
LogP-1.50
Rot. Bonds5

About 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide

1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide (PubChem CID 77497764) has the molecular formula C19H24N8O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide
PubChem CID77497764
Molecular FormulaC19H24N8O5
Molecular Weight444.45 g/mol
Exact Mass444.19
IUPAC Name1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2cnn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)c2)CCCC1
InChIInChI=1S/C19H24N8O5/c20-14-11-15(26(8-22-11)16-13(30)12(29)10(7-28)32-16)25-18(24-14)27-6-9(5-23-27)19(17(21)31)3-1-2-4-19/h5-6,8,10,12-13,16,28-30H,1-4,7H2,(H2,21,31)(H2,20,24,25)
InChIKeyBALHWTPGPVYMII-UHFFFAOYSA-N
XLogP-1.50
TPSA200.45 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-amino-9-[(3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
CID 59408597
1-[6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide;hydrate
CID 171714162
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide;methanesulfonic acid
CID 71503179
2-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]-2-(4-chlorophenyl)acetamide
CID 77156911
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide;(E)-but-2-enedioic acid
CID 71503163
1-[6-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-[(4-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 59108295
1-[6-amino-9-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
CID 59341765
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
CID 155885669

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide (CID 77497764) is 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide is NC(=O)C1(c2cnn(-c3nc(N)c4ncn(C5OC(CO)C(O)C5O)c4n3)c2)CCCC1.
What is the InChIKey of 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide?
The InChIKey is BALHWTPGPVYMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O5/c20-14-11-15(26(8-22-11)16-13(30)12(29)10(7-28)32-16)25-18(24-14)27-6-9(5-23-27)19(17(21)31)3-1-2-4-19/h5-6,8,10,12-13,16,28-30H,1-4,7H2,(H2,21,31)(H2,20,24,25).
What are the key properties of 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide?
1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide has a molecular weight of 444.45 g/mol, XLogP of -1.50, 5 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazol-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 77497764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).