1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide

C49H45FN14O5 — CID 118240629

IUPAC1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide
SMILESCc1cc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3ccccc3)n1)OCC2.NC(=O)c1cccc2c(-c3nc4c(c(NCc5ccccc5)n3)CCOC4)ncn12.NC(=O)c1cnc[nH]1
InChIInChI=1S/C23H20FN5O2.C22H20N6O2.C4H5N3O/c1-13-9-16-17(21(25)30)10-15(24)11-19(16)29(13)23-27-18-7-8-31-20(18)22(28-23)26-12-14-5-3-2-4-6-14;23-20(29)18-8-4-7-17-19(25-13-28(17)18)22-26-16-12-30-10-9-15(16)21(27-22)24-11-14-5-2-1-3-6-14;5-4(8)3-1-6-2-7-3/h2-6,9-11H,7-8,12H2,1H3,(H2,25,30)(H,26,27,28);1-8,13H,9-12H2,(H2,23,29)(H,24,26,27);1-2H,(H2,5,8)(H,6,7)
InChIKeyRLDONLYLKSCPQI-UHFFFAOYSA-N
MW928.99 g/mol
LogP5.60
Rot. Bonds11

About 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide

1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide (PubChem CID 118240629) has the molecular formula C49H45FN14O5 and a molecular weight of 928.99 g/mol. Its IUPAC name is 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide
PubChem CID118240629
Molecular FormulaC49H45FN14O5
Molecular Weight928.99 g/mol
Exact Mass928.37
IUPAC Name1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide
SMILESCc1cc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3ccccc3)n1)OCC2.NC(=O)c1cccc2c(-c3nc4c(c(NCc5ccccc5)n3)CCOC4)ncn12.NC(=O)c1cnc[nH]1
InChIInChI=1S/C23H20FN5O2.C22H20N6O2.C4H5N3O/c1-13-9-16-17(21(25)30)10-15(24)11-19(16)29(13)23-27-18-7-8-31-20(18)22(28-23)26-12-14-5-3-2-4-6-14;23-20(29)18-8-4-7-17-19(25-13-28(17)18)22-26-16-12-30-10-9-15(16)21(27-22)24-11-14-5-2-1-3-6-14;5-4(8)3-1-6-2-7-3/h2-6,9-11H,7-8,12H2,1H3,(H2,25,30)(H,26,27,28);1-8,13H,9-12H2,(H2,23,29)(H,24,26,27);1-2H,(H2,5,8)(H,6,7)
InChIKeyRLDONLYLKSCPQI-UHFFFAOYSA-N
XLogP5.60
TPSA274.26 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500928.99
LogP ≤ 55.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide (CID 118240629) is 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide is Cc1cc2c(C(N)=O)cc(F)cc2n1-c1nc2c(c(NCc3ccccc3)n1)OCC2.NC(=O)c1cccc2c(-c3nc4c(c(NCc5ccccc5)n3)CCOC4)ncn12.NC(=O)c1cnc[nH]1.
What is the InChIKey of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide?
The InChIKey is RLDONLYLKSCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2.C22H20N6O2.C4H5N3O/c1-13-9-16-17(21(25)30)10-15(24)11-19(16)29(13)23-27-18-7-8-31-20(18)22(28-23)26-12-14-5-3-2-4-6-14;23-20(29)18-8-4-7-17-19(25-13-28(17)18)22-26-16-12-30-10-9-15(16)21(27-22)24-11-14-5-2-1-3-6-14;5-4(8)3-1-6-2-7-3/h2-6,9-11H,7-8,12H2,1H3,(H2,25,30)(H,26,27,28);1-8,13H,9-12H2,(H2,23,29)(H,24,26,27);1-2H,(H2,5,8)(H,6,7).
What are the key properties of 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide?
1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide has a molecular weight of 928.99 g/mol, XLogP of 5.60, 11 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-6,7-dihydrofuro[3,2-d]pyrimidin-2-yl]-6-fluoro-2-methylindole-4-carboxamide;1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-5-carboxamide;1H-imidazole-5-carboxamide is sourced from PubChem (CID 118240629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).