5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide

C24H23FN6O3 — CID 139346209

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NCCO)c12
InChIInChI=1S/C24H23FN6O3/c1-14-15(3-2-7-26-14)18-12-29-24(31-13-30-21(22(18)31)23(33)27-8-9-32)28-11-17-16-6-10-34-20(16)5-4-19(17)25/h2-5,7,12-13,32H,6,8-11H2,1H3,(H,27,33)(H,28,29)
InChIKeyLUPMMWSBCIYWFQ-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.51
Rot. Bonds7

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide (PubChem CID 139346209) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide
PubChem CID139346209
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NCCO)c12
InChIInChI=1S/C24H23FN6O3/c1-14-15(3-2-7-26-14)18-12-29-24(31-13-30-21(22(18)31)23(33)27-8-9-32)28-11-17-16-6-10-34-20(16)5-4-19(17)25/h2-5,7,12-13,32H,6,8-11H2,1H3,(H,27,33)(H,28,29)
InChIKeyLUPMMWSBCIYWFQ-UHFFFAOYSA-N
XLogP2.51
TPSA113.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide (CID 139346209) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)NCCO)c12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide?
The InChIKey is LUPMMWSBCIYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-14-15(3-2-7-26-14)18-12-29-24(31-13-30-21(22(18)31)23(33)27-8-9-32)28-11-17-16-6-10-34-20(16)5-4-19(17)25/h2-5,7,12-13,32H,6,8-11H2,1H3,(H,27,33)(H,28,29).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-N-(2-hydroxyethyl)-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxamide is sourced from PubChem (CID 139346209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).