4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C24H35N7O3 — CID 58130000

IUPAC4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCOc1nc(N)c2c(n1)N(Cc1ccc(OCCCN3CCN(C)CC3)nc1)C(=O)C2
InChIInChI=1S/C24H35N7O3/c1-3-4-13-34-24-27-22(25)19-15-21(32)31(23(19)28-24)17-18-6-7-20(26-16-18)33-14-5-8-30-11-9-29(2)10-12-30/h6-7,16H,3-5,8-15,17H2,1-2H3,(H2,25,27,28)
InChIKeyUWOOFPCFNZEPHQ-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.74
Rot. Bonds11

About 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58130000) has the molecular formula C24H35N7O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58130000
Molecular FormulaC24H35N7O3
Molecular Weight469.59 g/mol
Exact Mass469.28
IUPAC Name4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCOc1nc(N)c2c(n1)N(Cc1ccc(OCCCN3CCN(C)CC3)nc1)C(=O)C2
InChIInChI=1S/C24H35N7O3/c1-3-4-13-34-24-27-22(25)19-15-21(32)31(23(19)28-24)17-18-6-7-20(26-16-18)33-14-5-8-30-11-9-29(2)10-12-30/h6-7,16H,3-5,8-15,17H2,1-2H3,(H2,25,27,28)
InChIKeyUWOOFPCFNZEPHQ-UHFFFAOYSA-N
XLogP1.74
TPSA109.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

Dsr-6434
CID 25071151
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071150
4-Amino-1,3-dihydro-1-[(6-methyl-3-pyridinyl)methyl]-6-[(tetrahydro-2H-pyran-4-yl)methoxy]-2H-imidazo[4,5-c]-pyridin-2-one
CID 25154304
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(6-ethoxy-5-fluoro-3-pyridinyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57658902
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 59281148
2-amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpteridin-7(8H)-one
CID 42609338
2-amino-8-isopropyl-6-(2-methoxypyridin-4-yl)-4-methylpteridin-7(8H)-one
CID 52941545
2-amino-8-isopropyl-4-methoxy-6-(6-methoxypyridin-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 52945133
1-((3S,4S)-4-amino-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53324211
6-amino-2-(butylamino)-9-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 71520574

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58130000) is 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1ccc(OCCCN3CCN(C)CC3)nc1)C(=O)C2.
What is the InChIKey of 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is UWOOFPCFNZEPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O3/c1-3-4-13-34-24-27-22(25)19-15-21(32)31(23(19)28-24)17-18-6-7-20(26-16-18)33-14-5-8-30-11-9-29(2)10-12-30/h6-7,16H,3-5,8-15,17H2,1-2H3,(H2,25,27,28).
What are the key properties of 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 469.59 g/mol, XLogP of 1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-7-[[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58130000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).