N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide

C24H36N4O6 — CID 160969410

IUPACN-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
SMILESCOC[C@H]1O[C@@H](n2cc(C(C)=O)c3c(NC(=O)C(CC(C)(C)C)C(C)C)ncnc32)[C@@H](O)C1O
InChIInChI=1S/C24H36N4O6/c1-12(2)14(8-24(4,5)6)22(32)27-20-17-15(13(3)29)9-28(21(17)26-11-25-20)23-19(31)18(30)16(34-23)10-33-7/h9,11-12,14,16,18-19,23,30-31H,8,10H2,1-7H3,(H,25,26,27,32)/t14?,16-,18?,19+,23-/m1/s1
InChIKeySQVXBTCZKGVQHZ-CCDUFTRUSA-N
MW476.57 g/mol
LogP2.55
Rot. Bonds8

About N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide

N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide (PubChem CID 160969410) has the molecular formula C24H36N4O6 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound NameN-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
PubChem CID160969410
Molecular FormulaC24H36N4O6
Molecular Weight476.57 g/mol
Exact Mass476.26
IUPAC NameN-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide
SMILESCOC[C@H]1O[C@@H](n2cc(C(C)=O)c3c(NC(=O)C(CC(C)(C)C)C(C)C)ncnc32)[C@@H](O)C1O
InChIInChI=1S/C24H36N4O6/c1-12(2)14(8-24(4,5)6)22(32)27-20-17-15(13(3)29)9-28(21(17)26-11-25-20)23-19(31)18(30)16(34-23)10-33-7/h9,11-12,14,16,18-19,23,30-31H,8,10H2,1-7H3,(H,25,26,27,32)/t14?,16-,18?,19+,23-/m1/s1
InChIKeySQVXBTCZKGVQHZ-CCDUFTRUSA-N
XLogP2.55
TPSA135.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide with MolForge

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Related Compounds

N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane
CID 159234601
[(4R,5R)-3,4-dihydroxy-5-[5-(N'-hydroxycarbamimidoyl)-4-(3-methylbutylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 59583606
7-[(2R,3R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-methoxy-4-(3-methylbutylamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide
CID 59583552
propan-2-yl N-[7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]carbamate
CID 155745132
[(2R,3S,4R,5R)-5-(6-acetamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 23278063
(2R,3S,4R,5R)-2-(methoxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
CID 22986922
[(2R,3S,4R,5S)-5-[6-(2-aminopentanoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 71380415
[5-[6-(2-aminopentanoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 78065014
methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
CID 89486764
(2S,3S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 11734107
[(2R,3S,4R,5R)-5-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-4-methylpentanoate
CID 25176127
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
CID 11667211

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
The IUPAC name of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide (CID 160969410) is N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide.
What is the SMILES notation for N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
The canonical SMILES for N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide is COC[C@H]1O[C@@H](n2cc(C(C)=O)c3c(NC(=O)C(CC(C)(C)C)C(C)C)ncnc32)[C@@H](O)C1O.
What is the InChIKey of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
The InChIKey is SQVXBTCZKGVQHZ-CCDUFTRUSA-N. The full InChI is InChI=1S/C24H36N4O6/c1-12(2)14(8-24(4,5)6)22(32)27-20-17-15(13(3)29)9-28(21(17)26-11-25-20)23-19(31)18(30)16(34-23)10-33-7/h9,11-12,14,16,18-19,23,30-31H,8,10H2,1-7H3,(H,25,26,27,32)/t14?,16-,18?,19+,23-/m1/s1.
What are the key properties of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide?
N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide has a molecular weight of 476.57 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 160969410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).