N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C22H23FN6O2 — CID 138635597

IUPACN-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCCc1nc2cc(F)ccc2n1C
InChIInChI=1S/C22H23FN6O2/c1-12-17(18-19(28-22(2)7-8-22)25-11-26-21(18)31-12)20(30)24-9-6-16-27-14-10-13(23)4-5-15(14)29(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,24,30)(H,25,26,28)
InChIKeyJZCFORUQLSKCLX-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635597) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635597
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC NameN-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCCc1nc2cc(F)ccc2n1C
InChIInChI=1S/C22H23FN6O2/c1-12-17(18-19(28-22(2)7-8-22)25-11-26-21(18)31-12)20(30)24-9-6-16-27-14-10-13(23)4-5-15(14)29(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,24,30)(H,25,26,28)
InChIKeyJZCFORUQLSKCLX-UHFFFAOYSA-N
XLogP3.49
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635597) is N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCCc1nc2cc(F)ccc2n1C.
What is the InChIKey of N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JZCFORUQLSKCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-12-17(18-19(28-22(2)7-8-22)25-11-26-21(18)31-12)20(30)24-9-6-16-27-14-10-13(23)4-5-15(14)29(16)3/h4-5,10-11H,6-9H2,1-3H3,(H,24,30)(H,25,26,28).
What are the key properties of N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).