1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide

C23H21N5O2 — CID 122685302

IUPAC1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide
SMILESCc1cn2c(C(N)=O)cccc2c1-c1nc2c(c(NCc3ccccc3)n1)OCC2
InChIInChI=1S/C23H21N5O2/c1-14-13-28-17(8-5-9-18(28)21(24)29)19(14)22-26-16-10-11-30-20(16)23(27-22)25-12-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyHHXUTLJHFJBRDF-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide

1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide (PubChem CID 122685302) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide
PubChem CID122685302
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide
SMILESCc1cn2c(C(N)=O)cccc2c1-c1nc2c(c(NCc3ccccc3)n1)OCC2
InChIInChI=1S/C23H21N5O2/c1-14-13-28-17(8-5-9-18(28)21(24)29)19(14)22-26-16-10-11-30-20(16)23(27-22)25-12-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyHHXUTLJHFJBRDF-UHFFFAOYSA-N
XLogP3.35
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(benzylamino)-6,7,8,9-tetrahydrooxepino[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide
CID 118240305
1-[4-(benzylamino)-5-methyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide
CID 118239918
[3-[[[2-(5-carbamoyl-2-methylindolizin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205628
[3-[[[2-(5-carbamoyl-2-methylindolizin-1-yl)-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205743
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]triazolo[1,5-a]pyridine-7-carboxamide
CID 118239817
3-[4-[(3-fluorophenyl)methylamino]-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240806
[3-[[[2-(8-carbamoyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205158
3-[4-(benzylamino)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239647
3-[4-(benzylamino)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl]-2-methyl-1-benzothiophene-7-carboxamide
CID 118239970
[1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindol-4-yl]boronic acid
CID 145205508
3-[4-(benzylamino)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-7-carboxamide
CID 118239478
1-[4-(benzylamino)-7-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide
CID 122685428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide (CID 122685302) is 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide is Cc1cn2c(C(N)=O)cccc2c1-c1nc2c(c(NCc3ccccc3)n1)OCC2.
What is the InChIKey of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide?
The InChIKey is HHXUTLJHFJBRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14-13-28-17(8-5-9-18(28)21(24)29)19(14)22-26-16-10-11-30-20(16)23(27-22)25-12-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3,(H2,24,29)(H,25,26,27).
What are the key properties of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide?
1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-2-methylindolizine-5-carboxamide is sourced from PubChem (CID 122685302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).