8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide

C24H22FN7O2 — CID 155788178

IUPAC8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
InChIInChI=1S/C24H22FN7O2/c1-12-15(8-27-22(30-12)13-2-3-13)17-10-29-24(32-11-19(21(26)33)31-23(17)32)28-9-16-14-6-7-34-20(14)5-4-18(16)25/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H2,26,33)(H,28,29)
InChIKeyDNWQZLJLDRUAIN-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.16
Rot. Bonds6

About 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide

8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide (PubChem CID 155788178) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide
PubChem CID155788178
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide
SMILESCc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12
InChIInChI=1S/C24H22FN7O2/c1-12-15(8-27-22(30-12)13-2-3-13)17-10-29-24(32-11-19(21(26)33)31-23(17)32)28-9-16-14-6-7-34-20(14)5-4-18(16)25/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H2,26,33)(H,28,29)
InChIKeyDNWQZLJLDRUAIN-UHFFFAOYSA-N
XLogP3.16
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide?
The IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide (CID 155788178) is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide is Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(N)=O)nc12.
What is the InChIKey of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide?
The InChIKey is DNWQZLJLDRUAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-12-15(8-27-22(30-12)13-2-3-13)17-10-29-24(32-11-19(21(26)33)31-23(17)32)28-9-16-14-6-7-34-20(14)5-4-18(16)25/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H2,26,33)(H,28,29).
What are the key properties of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide?
8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide has a molecular weight of 459.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 155788178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).